data_2jro_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 2jro _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 ' 2' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.627 0.251 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 25' ' ' TRP . 33.9 m -86.36 151.74 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 111.005 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 52.8 m-85 -132.16 103.38 14.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.35 -12.6 32.05 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.083 2.522 . . . . 0.0 112.249 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.17 157.86 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -80.56 -85.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 11' ' ' LEU . . . 53.17 81.05 0.27 Allowed Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 123.447 0.467 . . . . 0.0 111.943 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.58 -54.7 5.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.338 2.692 . . . . 0.0 113.538 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.7 ptpt -65.44 -28.73 69.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.398 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 10' ' ' LYS . 10.6 mp -72.62 -36.92 68.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.9 -54.12 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.499 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG12 HG12 ' A' ' 60' ' ' ILE . 87.2 t -62.17 -44.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.224 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.96 -38.55 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 110.913 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -85.71 -20.42 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.27 63.99 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.547 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -58.71 -29.68 66.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.4 mt -100.14 -30.43 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.851 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -100.25 10.5 41.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.613 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 21' ' ' THR . 3.6 pp -29.3 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.627 ' N ' HD13 ' A' ' 20' ' ' LEU . 15.3 t -112.54 112.78 24.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.597 0.713 . . . . 0.0 110.456 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.62 -142.21 7.97 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.049 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.79 139.59 11.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 120.696 0.284 . . . . 0.0 110.436 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 34' ' ' PHE . 27.4 pt -120.23 152.6 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.651 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' HB2' HG11 ' A' ' 3' ' ' VAL . 17.0 m95 -120.48 79.49 1.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.768 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 3.7 t -72.6 142.38 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -11.56 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.54 -37.99 11.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.532 HD13 HD12 ' A' ' 32' ' ' LEU . 84.8 mt -103.8 -55.22 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.17 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 -143.16 14.65 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.028 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -79.29 113.57 17.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 HD13 ' A' ' 29' ' ' LEU . 89.8 mt -120.63 116.73 25.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.9 143.82 27.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.096 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -149.27 136.59 20.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' OE2' ' HG3' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -125.25 112.63 16.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.345 -175.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.541 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.9 mtmp? 55.15 48.23 20.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.754 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.41 -34.1 5.68 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.159 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 38' ' ' ARG . 56.1 mtt180 -86.51 108.6 18.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 122.051 0.929 . . . . 0.0 111.659 -175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 28.9 m-85 -61.69 123.46 18.01 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 113.439 -1.709 . . . . 0.0 110.468 172.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.27 -174.315 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 CA--C 1.526 0.105 0 N-CA-C 112.518 0.161 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -50.54 -50.32 53.65 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.523 ' HA ' HD23 ' A' ' 29' ' ' LEU . 44.5 t -74.22 -43.64 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.936 -176.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' O ' HD11 ' A' ' 54' ' ' LEU . 60.9 tttm -61.8 -48.09 82.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.954 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.27 -35.25 77.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.615 0.245 . . . . 0.0 110.849 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.87 -47.09 87.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.25 -36.49 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD11 ' O ' ' A' ' 50' ' ' LYS . 8.2 mp -64.31 -45.83 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -69.27 -28.11 66.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 60' ' ' ILE . 69.0 mt -65.82 -44.75 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 60' ' ' ILE . 27.9 m-80 -65.42 -32.88 74.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 110.713 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.34 -49.36 77.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.54 0.686 . . . . 0.0 109.722 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 10' ' ' LYS . 41.9 tp -60.9 -38.36 85.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.651 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -56.68 -49.09 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.579 176.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.63 -18.24 63.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.033 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.94 28.89 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.782 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -75.49 -36.44 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.467 . . . . 0.0 110.507 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.205 176.347 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.497 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 7.5 tpm_? . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.99 142.92 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -130.7 111.89 16.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -66.47 -22.38 51.94 Favored 'Trans proline' 0 C--N 1.34 0.101 0 C-N-CA 122.844 2.363 . . . . 0.0 111.727 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 t -125.09 139.67 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.611 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -83.15 80.44 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.533 0.683 . . . . 0.0 109.994 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -106.9 101.15 35.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.092 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -40.91 -57.96 1.17 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.09 3.194 . . . . 0.0 114.415 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' A' ' 8' ' ' ALA . 10.0 mp -63.99 -40.27 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.0 110.327 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.83 -54.47 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG12 HG12 ' A' ' 60' ' ' ILE . 98.8 t -61.96 -41.49 91.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.588 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -57.15 -41.0 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -84.9 -28.7 25.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.21 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.722 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -67.02 -23.97 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.456 . . . . 0.0 110.693 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -95.03 -43.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.202 0.525 . . . . 0.0 110.392 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -93.35 10.39 32.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.537 -175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -32.03 -26.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.549 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.8 t -116.09 116.38 27.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.737 0.699 . . . . 0.0 110.743 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.08 -148.9 20.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.556 HG13 ' HG2' ' A' ' 33' ' ' GLU . 34.2 m -125.07 152.09 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.824 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' HB ' ' CE2' ' A' ' 34' ' ' PHE . 10.8 tt -131.53 143.87 39.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.679 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 31' ' ' ARG . 2.1 t90 -130.24 107.72 9.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.2 143.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.42 -39.95 81.39 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.866 0.365 . . . . 0.0 110.964 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.24 -35.36 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.842 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.92 -76.68 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.076 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.18 -157.14 27.82 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.543 ' HB2' ' CE3' ' A' ' 25' ' ' TRP . 25.3 ttm180 -86.07 125.11 33.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.613 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB2' HG22 ' A' ' 24' ' ' ILE . 44.4 mt -126.23 171.12 11.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 23' ' ' VAL . 40.4 mt-10 -123.97 170.87 10.19 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.535 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -164.07 147.11 9.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.62 0.724 . . . . 0.0 112.222 172.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 10.4 tp10 -136.14 139.29 42.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 169.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 41.1 mtmt 64.09 11.94 6.6 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.48 0.488 . . . . 0.0 111.018 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 62.62 38.04 95.75 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.092 -174.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 -110.48 -2.67 16.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.614 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 19.4 m-85 67.69 127.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.079 0.942 . . . . 0.0 113.354 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.234 178.174 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.1 Cg_exo . . . . . 0 N--CA 1.464 -0.237 0 CA-C-O 120.516 0.132 . . . . 0.0 112.412 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -62.75 -32.61 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.489 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 53' ' ' ILE . 84.7 t -82.91 -35.76 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.905 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -66.35 -33.3 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.102 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 47' ' ' PRO . 29.3 mm-40 -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.925 0.393 . . . . 0.0 110.343 174.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -66.0 -39.53 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.368 177.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 49' ' ' VAL . 79.1 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.53 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.45 -36.67 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -44.5 96.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.619 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.1 mt -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.617 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.436 HD22 ' HB2' ' A' ' 39' ' ' PHE . 6.6 m120 -57.22 -44.74 84.02 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -61.45 -47.9 83.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.991 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 58.8 tp -54.61 -42.28 70.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.887 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 56' ' ' LEU . 79.9 mt -57.63 -56.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.19 -30.18 69.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.665 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.43 63.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 111.016 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 25.4 mt-30 -94.43 -35.46 12.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 N--CA 1.463 0.193 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 176.212 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.65 130.41 73.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.758 0.314 . . . . 0.0 110.297 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -125.96 111.07 24.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.295 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 73.8 Cg_endo -75.52 1.09 8.37 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.963 2.442 . . . . 0.0 112.763 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.17 140.43 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.206 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.527 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 48.5 t80 -83.14 92.73 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.124 0.487 . . . . 0.0 110.015 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.08 90.11 51.53 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -42.94 -51.09 5.71 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.683 2.922 . . . . 0.0 112.87 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -49.02 -57.11 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.447 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.45 -40.77 96.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.113 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.63 -56.2 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.483 HG12 HG12 ' A' ' 60' ' ' ILE . 95.4 t -65.05 -34.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.32 -43.91 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 110.865 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -84.1 -27.57 28.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.172 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.45 -25.6 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.639 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -64.46 -23.8 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.089 0.471 . . . . 0.0 110.692 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -100.24 -46.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.186 0.517 . . . . 0.0 110.515 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.1 10.04 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.869 -176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.499 HD13 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -31.77 -27.39 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -174.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.499 ' N ' HD13 ' A' ' 20' ' ' LEU . 6.3 t -115.88 97.37 6.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 119.245 0.93 . . . . 0.0 110.378 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.2 -167.5 36.76 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 33' ' ' GLU . 26.3 t -123.06 136.67 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG22 ' HE2' ' A' ' 39' ' ' PHE . 11.2 tt -121.78 141.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -120.63 100.03 6.89 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 t -90.41 147.36 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 12.5 tppt? -76.29 -31.18 58.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.527 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 3.9 m-20 -91.89 5.33 50.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.393 -177.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 96.3 mt -139.13 -61.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.238 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.6 -153.79 20.61 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -84.07 130.61 34.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.089 0.471 . . . . 0.0 110.886 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -134.32 136.2 43.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.815 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG2' HG23 ' A' ' 23' ' ' VAL . 39.1 mt-10 -108.76 135.62 49.67 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 14.4 p90 -134.38 152.47 51.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 111.612 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.39 136.29 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.603 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.14 17.49 11.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.954 0.406 . . . . 0.0 110.46 -175.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.55 -17.45 52.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.759 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -90.96 116.54 28.85 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.355 1.074 . . . . 0.0 110.673 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.666 ' HE2' HG22 ' A' ' 24' ' ' ILE . 83.7 m-85 -56.25 125.69 22.92 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.442 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -176.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo . . . . . 0 CA--C 1.53 0.315 0 N-CA-C 113.44 0.516 . . . . 0.0 113.44 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.38 -32.83 73.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.7 t -69.48 -41.49 80.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -60.04 -47.14 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.712 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 7.5 tp60 -58.84 -45.74 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.323 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -57.12 -52.3 65.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 39' ' ' PHE . 74.1 mt -56.95 -44.68 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.133 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.468 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 42.3 mt-10 -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 60' ' ' ILE . 85.6 mt -64.62 -44.96 88.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.509 ' HA ' HD13 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -61.99 -34.84 76.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.81 -51.46 69.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -61.26 -38.12 85.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.922 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 56' ' ' LEU . 94.0 mt -58.34 -55.24 23.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.669 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.593 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 34.6 tt0 -67.66 -30.58 70.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -176.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.64 83.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.225 0.536 . . . . 0.0 110.511 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -82.09 -32.07 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.398 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 26.3 t-20 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.76 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.427 ' HB3' HG12 ' A' ' 24' ' ' ILE . 42.6 ttm180 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 25' ' ' TRP . 20.1 m -88.63 141.93 13.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -124.32 105.76 30.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.639 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 14.9 Cg_exo -69.6 -22.07 33.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.747 2.298 . . . . 0.0 111.431 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.52 154.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.253 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -100.85 103.8 15.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -115.76 97.03 48.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.27 -63.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.448 2.766 . . . . 0.0 113.534 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.06 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.723 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.92 -43.25 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 8' ' ' ALA . 81.5 mt -60.19 -52.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.658 0.266 . . . . 0.0 110.644 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG11 HG12 ' A' ' 60' ' ' ILE . 66.3 t -63.1 -41.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.24 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.08 -29.77 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.182 0.515 . . . . 0.0 111.133 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -91.57 -9.74 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.44 -11.84 44.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.399 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -57.13 -43.4 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.769 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.4 mt -94.66 -30.46 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.423 0.63 . . . . 0.0 110.982 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.08 12.1 35.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.072 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 21' ' ' THR . 1.9 pp -35.67 -17.68 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.0 t -112.18 100.16 8.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.08 0.854 . . . . 0.0 110.347 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.74 -165.82 38.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.401 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG13 ' HG2' ' A' ' 33' ' ' GLU . 19.9 m -129.5 146.73 33.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.971 0.415 . . . . 0.0 111.295 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.427 HG12 ' HB3' ' A' ' 2' ' ' ARG . 23.8 mt -131.62 133.88 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.248 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.595 ' HB2' HG11 ' A' ' 3' ' ' VAL . 11.7 m95 -110.11 94.94 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.71 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -86.6 150.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HG2' ' HA ' ' A' ' 5' ' ' PRO . 72.4 mmtt -68.55 -24.5 64.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.11 -51.6 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.086 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 32' ' ' LEU . 89.7 mt -90.58 -16.75 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.055 -173.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -80.94 1.21 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.716 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -140.52 124.12 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 29' ' ' LEU . 92.7 mt -117.62 130.89 56.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' HG13 ' A' ' 23' ' ' VAL . 34.4 mt-10 -114.46 129.36 56.65 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 27.7 p90 -140.34 143.56 35.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.13 0.49 . . . . 0.0 111.462 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -132.68 127.42 34.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.586 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HZ1' ' HB2' ' A' ' 36' ' ' LYS . 8.7 mtmp? 66.84 23.48 10.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.676 176.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 99.24 -23.2 37.28 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.442 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -85.25 102.84 13.68 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 111.043 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 50.3 m-85 -55.07 123.4 13.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.791 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -177.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 N--CA 1.474 0.36 0 N-CA-C 113.652 0.597 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -58.74 -41.89 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 0.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 HG11 HD23 ' A' ' 29' ' ' LEU . 99.3 t -66.51 -43.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.292 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 57.2 mtpt -58.05 -44.86 87.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.356 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -55.82 -43.66 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.905 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.98 -38.81 83.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 49' ' ' VAL . 43.3 mm -60.88 -48.05 90.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.273 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 78.2 mt -60.54 -40.02 90.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.057 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.67 -43.13 99.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.632 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.8 mt -64.29 -46.68 82.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.714 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -41.67 87.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.712 0.291 . . . . 0.0 110.456 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.4 -51.97 67.58 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.726 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 53.1 tp -58.08 -45.03 87.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.484 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -57.06 -52.95 49.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 110.582 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.15 -25.2 66.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.758 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.29 -22.61 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.437 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 66.1 mt-30 -76.12 -41.22 50.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.01 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.969 174.298 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.54 126.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.15 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.5 114.13 57.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.01 0.433 . . . . 0.0 111.501 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 5.5 Cg_exo -78.57 -2.12 12.2 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.045 2.497 . . . . 0.0 111.769 175.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.28 127.81 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -87.5 103.09 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.11 104.46 13.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -44.51 -58.66 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.917 3.078 . . . . 0.0 114.09 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.09 -39.37 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.724 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.66 -37.86 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.56 -52.02 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG12 HG12 ' A' ' 60' ' ' ILE . 87.1 t -62.65 -44.07 99.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.561 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -62.38 -36.97 83.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.257 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -79.45 -29.57 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.736 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.7 68.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.312 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -26.82 68.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.9 mt -101.21 -37.38 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -90.64 8.48 34.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.412 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -29.93 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -175.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.557 ' N ' HD13 ' A' ' 20' ' ' LEU . 9.2 t -111.41 94.09 4.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.553 0.692 . . . . 0.0 110.195 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.1 -153.77 14.44 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.69 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.96 136.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.537 HG21 ' HB2' ' A' ' 32' ' ' LEU . 5.6 tt -120.65 120.05 61.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 109.749 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -99.98 113.57 26.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.151 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -109.33 145.78 15.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 44.0 mtmt -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.647 -174.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.13 0.52 55.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.171 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.62 -59.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.951 0.405 . . . . 0.0 110.746 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.25 -156.33 22.33 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -88.15 116.55 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.22 0.534 . . . . 0.0 110.098 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB2' HG21 ' A' ' 24' ' ' ILE . 90.2 mt -103.51 105.39 15.62 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.14 130.26 35.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.808 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.08 135.62 29.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.118 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.527 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 23.8 tt0 -125.88 127.36 45.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.757 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 55.3 mttp 63.4 21.93 13.02 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.408 0.442 . . . . 0.0 110.399 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.35 -14.58 62.12 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.134 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 102.62 14.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.724 0.773 . . . . 0.0 109.744 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.62 120.59 5.85 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.877 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.702 0.763 . . . . 0.0 110.545 -176.408 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 114.264 0.832 . . . . 0.0 114.264 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 88.3 tttt -72.41 -35.89 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.128 0.49 . . . . 0.0 110.992 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 53' ' ' ILE . 59.9 t -68.78 -37.17 77.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.127 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 34.9 ttpt -55.03 -54.03 48.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.474 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.08 -25.57 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.602 -178.251 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -72.94 -43.64 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' VAL . 93.4 mt -61.74 -44.71 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.343 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 97.7 mt -58.58 -44.64 89.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.58 -41.62 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.364 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.1 mt -63.34 -45.97 88.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' HA ' HD13 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -58.69 -39.93 82.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.33 -45.87 82.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.044 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.35 -35.12 76.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.841 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.7 mt -57.1 -53.86 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -40.97 96.22 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.313 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.82 -43.85 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.523 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.99 -35.03 50.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.5 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 111.512 -176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 20.0 mmt180 . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 25' ' ' TRP . 48.6 t -126.66 127.07 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.582 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.61 ' CD1' HD13 ' A' ' 24' ' ' ILE . 55.6 m-85 -120.73 98.52 47.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 111.077 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 12.7 Cg_exo -71.26 -32.78 12.29 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.7 2.267 . . . . 0.0 111.677 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.73 -37.27 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.086 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 57.2 86.96 0.07 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.452 0.644 . . . . 0.0 111.136 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -123.8 100.02 37.86 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.807 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -38.1 -60.7 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.178 3.252 . . . . 0.0 114.569 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.783 ' HG2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.28 -34.89 78.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.592 -174.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.783 HD11 ' HG2' ' A' ' 10' ' ' LYS . 9.2 mp -67.66 -41.38 83.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.718 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.32 -48.83 85.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 61.1 t -66.51 -37.82 80.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.37 -31.21 71.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 111.081 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -81.38 -32.05 33.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 110.176 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.37 66.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 13.0 mmm180 -58.06 -30.8 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.257 0.551 . . . . 0.0 110.371 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.77 -40.83 8.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.765 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.458 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 28.8 m-85 -87.24 10.33 17.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 -177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.9 pp -29.2 -31.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 t -116.56 90.78 3.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.027 0.83 . . . . 0.0 110.153 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.23 -169.98 38.37 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -124.19 140.23 48.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.61 HD13 ' CD1' ' A' ' 4' ' ' PHE . 9.2 tt -131.8 138.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.782 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.536 ' HB2' HG21 ' A' ' 3' ' ' VAL . 12.6 m95 -109.67 124.51 51.33 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.651 0.739 . . . . 0.0 110.554 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.4 t -108.84 141.81 23.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.268 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 36.8 ttpt -66.08 -35.92 81.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -97.97 1.4 47.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.343 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.532 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 90.5 mt -125.9 -50.54 1.58 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.359 . . . . 0.0 111.522 -177.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.1 -144.16 17.12 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -86.03 137.79 32.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.02 0.41 . . . . 0.0 110.344 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 24' ' ' ILE . 94.8 mt -126.65 110.21 12.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -102.07 118.06 36.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.557 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 11.1 p90 -126.36 158.16 36.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.915 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.597 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 40.5 tt0 -136.45 135.55 38.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.754 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.597 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 59.9 mttm 65.11 17.63 11.13 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.487 0.492 . . . . 0.0 110.985 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.75 21.11 66.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.773 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -124.16 110.73 15.05 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.936 0.874 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -53.89 126.15 21.27 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.987 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.457 -177.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo . . . . . 0 CA--C 1.53 0.289 0 N-CA-C 112.954 0.329 . . . . 0.0 112.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.95 -47.47 86.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.842 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 53' ' ' ILE . 56.0 t -65.15 -47.42 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.195 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -56.09 -56.85 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 0.0 110.767 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.053 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.59 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.2 mt -60.53 -40.85 85.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.903 0.382 . . . . 0.0 110.601 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.23 -41.91 89.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.68 -21.63 41.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.165 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 60' ' ' ILE . 48.1 mt -67.57 -38.25 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.32 -39.32 94.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.041 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.27 -50.54 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.486 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.77 -33.12 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.244 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.7 mt -60.44 -56.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.378 175.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 11.6 tp10 -74.75 -10.13 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.645 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.97 34.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.085 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -81.4 -33.21 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.134 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 4.9 m-20 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 170.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 CA--C 1.527 0.069 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.04 133.17 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 m-85 -113.34 108.86 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.537 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 13.2 Cg_exo -71.0 -15.61 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.128 2.552 . . . . 0.0 112.407 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.42 143.79 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.888 0.375 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -92.27 96.1 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.82 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . . . -121.12 102.84 43.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.936 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -37.89 -61.61 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 124.468 3.445 . . . . 0.0 114.438 -174.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.15 -40.2 74.92 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.008 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 75.9 mt -66.11 -34.38 77.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.434 -175.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 80.6 mt -63.35 -52.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG11 HG12 ' A' ' 60' ' ' ILE . 99.5 t -58.27 -46.53 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.441 0.639 . . . . 0.0 110.839 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.0 -28.34 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.652 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.15 -29.61 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.524 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -21.93 66.72 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 110.57 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -54.07 -30.12 46.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.056 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.58 -43.1 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.241 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -97.66 9.81 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.611 -172.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 21' ' ' THR . 2.5 pp -34.99 -21.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -171.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.437 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.9 t -116.44 122.01 43.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 119.47 1.032 . . . . 0.0 111.062 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.86 -151.26 22.99 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.158 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -118.44 128.54 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CG2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 tt -109.84 135.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -113.77 111.62 22.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.02 0.438 . . . . 0.0 110.58 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -110.19 148.1 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 67.0 mttm -72.59 -34.28 67.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.014 0.435 . . . . 0.0 111.205 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.73 -6.78 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.056 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 mt -129.05 -53.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.91 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.95 -150.33 17.15 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -88.61 134.45 33.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.312 0.556 . . . . 0.0 109.783 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 72.4 mt -128.06 147.14 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 110.686 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.84 105.87 16.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -119.49 141.68 48.96 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.887 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -140.71 117.29 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 62.43 28.55 16.87 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.67 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.63 -17.5 58.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.228 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -85.22 131.59 34.4 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.462 0.648 . . . . 0.0 109.709 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.08 -19.21 22.57 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.942 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.466 0.33 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.823 -179.408 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo . . . . . 0 C--O 1.235 0.35 0 CA-C-O 121.161 0.4 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -56.17 -53.7 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.461 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.23 -25.87 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.433 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.28 -41.94 93.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -45.03 93.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.461 -0.791 . . . . 0.0 108.963 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.16 -52.66 61.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.266 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -53.02 -48.65 52.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.673 0.273 . . . . 0.0 111.386 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.42 -38.95 91.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.17 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.71 -38.81 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.217 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.622 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.1 mt -60.48 -49.23 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.297 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD12 ' A' ' 60' ' ' ILE . 10.8 m120 -59.69 -39.21 83.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.832 0.349 . . . . 0.0 110.909 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.91 -46.78 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.345 0.593 . . . . 0.0 109.686 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.71 -41.01 94.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.11 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 56' ' ' LEU . 76.9 mt -55.19 -54.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 42.4 mt-10 -74.52 -19.09 60.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.658 -176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.62 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.38 -36.43 76.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.137 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.558 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 6.2 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.043 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 25' ' ' TRP . 49.2 t -101.68 126.95 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.78 0.324 . . . . 0.0 110.344 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.448 ' HE2' HD23 ' A' ' 11' ' ' LEU . 13.0 m-85 -105.67 110.6 64.37 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.58 -1.15 11.32 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.624 2.216 . . . . 0.0 111.601 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.8 152.87 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.26 -83.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.303 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.66 88.87 0.1 Allowed Pre-proline 0 N--CA 1.466 0.374 0 C-N-CA 123.217 0.607 . . . . 0.0 112.209 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -45.67 -56.84 2.52 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.497 2.798 . . . . 0.0 113.971 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG2' HD21 ' A' ' 59' ' ' LEU . 93.5 mttt -71.45 -24.28 61.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.495 -175.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD23 ' HE2' ' A' ' 4' ' ' PHE . 9.5 tt -71.57 -37.79 71.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 79.1 mt -59.66 -57.3 12.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 174.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.505 HG12 HG12 ' A' ' 60' ' ' ILE . 73.8 t -54.6 -43.09 63.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.705 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.46 -35.29 79.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.483 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.34 -24.38 23.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 111.407 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.74 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.119 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.8 ttt-85 -71.76 -10.35 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.38 . . . . 0.0 111.078 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.2 mt -90.66 -46.34 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.687 0.756 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -100.79 11.33 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.195 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -36.5 -19.7 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -117.89 98.89 6.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.437 0.637 . . . . 0.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.3 -141.96 7.71 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.756 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.2 t -130.18 133.58 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.62 0.248 . . . . 0.0 110.43 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.476 HG22 ' HB2' ' A' ' 32' ' ' LEU . 6.5 tt -112.43 124.83 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.889 0.376 . . . . 0.0 110.06 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.444 ' HB2' HG23 ' A' ' 3' ' ' VAL . 13.7 m95 -99.53 102.19 13.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.232 0.539 . . . . 0.0 110.822 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 142.37 14.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.073 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -77.13 -22.41 52.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -89.4 -15.57 32.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.869 0.366 . . . . 0.0 111.492 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 49' ' ' VAL . 96.2 mt -128.51 -46.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 111.445 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.7 -160.28 22.25 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -79.97 130.71 35.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.317 0.558 . . . . 0.0 110.447 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' HB2' HG22 ' A' ' 24' ' ' ILE . 90.1 mt -117.17 150.57 38.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.629 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -108.44 131.97 54.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.909 0.385 . . . . 0.0 110.358 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.94 143.7 33.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.157 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -136.58 136.5 39.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.692 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HA ' HD11 ' A' ' 20' ' ' LEU . 9.6 ptpp? 47.51 31.95 2.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.905 0.882 . . . . 0.0 112.203 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.569 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 91.17 -7.38 80.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -99.01 107.31 19.7 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.055 0.931 . . . . 0.0 110.839 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 53' ' ' ILE . 39.6 m-85 -60.14 116.99 4.6 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.527 169.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--N 1.327 -0.383 0 O-C-N 123.336 0.398 . . . . 0.0 110.887 -175.296 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 C--O 1.235 0.352 0 N-CA-C 113.215 0.429 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -68.77 -25.77 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 111.497 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 29' ' ' LEU . 41.7 t -83.09 -46.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 109.649 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.38 -44.86 92.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.908 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.539 ' HA ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.97 -44.91 95.75 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.441 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -60.84 -51.96 67.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.488 HG22 ' HB3' ' A' ' 39' ' ' PHE . 72.2 mt -62.74 -47.46 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.58 -31.84 71.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.142 -178.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.63 ' N ' HD12 ' A' ' 54' ' ' LEU . 34.4 tt0 -68.35 -40.03 81.64 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.6 mt -62.33 -46.39 88.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.516 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -62.31 -40.36 96.07 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.987 0.422 . . . . 0.0 110.625 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.38 -43.93 89.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.144 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD21 ' HG2' ' A' ' 10' ' ' LYS . 51.8 tp -59.09 -43.08 91.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.877 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.2 mt -59.72 -50.03 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.662 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -76.55 -0.85 24.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.752 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.74 -49.62 7.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -66.02 -54.04 30.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -178.629 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.462 ' NH1' ' HA ' ' A' ' 2' ' ' ARG . 10.9 mmm180 . . . . . 0 CA--C 1.515 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.05 131.76 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.733 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -127.86 106.59 20.4 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.19 -33.28 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 111.041 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -89.43 118.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.262 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -89.53 92.41 9.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.194 0.521 . . . . 0.0 110.047 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.07 98.08 45.08 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -41.88 -53.76 3.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.895 3.063 . . . . 0.0 114.153 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -52.5 -52.0 56.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.845 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.01 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.87 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.46 -52.6 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.019 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG12 HG12 ' A' ' 60' ' ' ILE . 73.2 t -65.45 -41.73 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.556 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.28 -40.79 74.82 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.096 0.475 . . . . 0.0 110.616 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -79.1 -33.75 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.43 -24.18 67.27 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -61.6 -28.85 69.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.06 0.457 . . . . 0.0 110.223 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.4 mt -101.07 -40.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.981 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' THR . 35.8 m-85 -88.51 11.18 17.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.793 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.0 pp -29.16 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.7 t -119.97 96.8 5.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.822 1.192 . . . . 0.0 110.889 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.39 -175.91 45.88 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.558 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 5.4 p -124.23 135.26 64.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.275 0.559 . . . . 0.0 110.879 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.6 tt -119.96 139.81 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.008 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 31' ' ' ARG . 2.5 t-105 -109.56 112.43 24.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.63 149.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.43 -53.61 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.57 -47.6 10.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.887 0.375 . . . . 0.0 111.914 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.05 -31.26 56.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.701 -170.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.06 -153.85 18.64 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 7.5 ptp180 -85.05 138.54 32.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.137 0.469 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.36 130.46 34.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 53.2 mt-10 -101.87 127.07 48.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE2' ' O ' ' A' ' 19' ' ' PHE . 13.9 p90 -113.45 138.24 50.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.896 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 35.3 tt0 -140.43 131.96 27.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.514 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 57.4 mttp 62.81 24.39 14.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.244 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.541 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 80.19 17.9 73.09 Favored Glycine 0 C--O 1.226 -0.371 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.097 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -117.68 140.19 49.99 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.17 3.76 54.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.227 -173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 176.853 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 N-CA-C 111.65 -0.173 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.51 -47.61 66.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.039 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 98.5 t -86.79 -44.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HG2' HD11 ' A' ' 54' ' ' LEU . 35.0 ttpt -59.47 -41.68 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.275 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.82 -40.24 92.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.822 0.344 . . . . 0.0 110.136 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -67.07 -42.77 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.7 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 49' ' ' VAL . 46.4 mm -62.9 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.0 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD11 ' HG2' ' A' ' 50' ' ' LYS . 8.9 mp -63.54 -39.89 95.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -47.37 85.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.329 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.621 ' O ' HG13 ' A' ' 60' ' ' ILE . 83.9 mt -62.97 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -64.48 -40.04 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.03 -42.0 97.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.293 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.88 -34.05 77.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.891 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 56' ' ' LEU . 88.6 mt -60.53 -56.14 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.46 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.22 -13.22 62.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.254 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.22 -44.77 17.3 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.02 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.41 -27.38 41.79 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.0 p30 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 0.0 110.479 176.231 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 22.3 tpt180 . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 25' ' ' TRP . 46.8 t -118.87 123.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.459 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 24' ' ' ILE . 43.8 m-85 -109.02 110.19 60.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.142 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.57 -21.04 26.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.815 2.343 . . . . 0.0 111.08 174.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.87 129.63 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.238 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.71 101.59 7.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -118.68 105.97 44.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.987 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 -62.63 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.843 3.029 . . . . 0.0 114.093 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.21 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.247 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.97 -39.27 90.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.366 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ALA . 82.7 mt -65.7 -49.61 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.514 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG13 HG12 ' A' ' 60' ' ' ILE . 76.9 t -58.9 -45.75 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.219 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -64.21 -40.13 95.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.427 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -83.81 -20.99 32.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.64 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.201 0.524 . . . . 0.0 110.116 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -62.84 -21.75 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.387 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.53 -47.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.682 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 99.2 m-85 -88.48 9.5 23.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.207 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 35' ' ' GLU . 2.3 pp -37.97 -7.44 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PHE . 3.6 t -130.09 118.22 21.18 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 119.75 1.159 . . . . 0.0 111.027 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.27 -140.98 12.24 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.362 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.72 141.38 46.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 32' ' ' LEU . 10.5 tt -121.17 122.33 67.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.308 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.521 ' HB2' HG23 ' A' ' 3' ' ' VAL . 11.8 m95 -99.85 113.51 26.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.874 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.39 139.15 21.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -90.49 -18.54 25.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.486 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.02 -48.61 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.43 -144.18 15.46 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -91.61 125.12 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.768 0.284 . . . . 0.0 110.71 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 24' ' ' ILE . 88.3 mt -115.46 123.31 48.26 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 40' ' ' LEU . 8.5 pt-20 -96.94 138.66 34.14 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -150.65 152.1 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.471 . . . . 0.0 111.497 -174.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 34.1 tt0 -143.77 133.29 23.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.265 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.849 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 5.8 mptt 63.84 20.3 12.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.958 0.503 . . . . 0.0 111.246 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.78 -0.88 84.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.234 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -98.24 109.53 22.27 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.983 0.897 . . . . 0.0 110.405 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 40.7 m-85 -58.15 127.47 32.25 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.369 -1.741 . . . . 0.0 111.208 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 9.1 mp . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.407 0.622 . . . . 0.0 110.089 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.229 0.044 0 CA-C-O 120.554 0.147 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -61.41 -36.5 80.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.243 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.99 -46.83 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.885 0.374 . . . . 0.0 110.224 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.19 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.557 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.0 -44.19 97.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.32 83.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.94 -39.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.77 -35.21 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 60' ' ' ILE . 89.9 mt -64.54 -44.11 91.85 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.101 173.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.44 -38.4 80.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.865 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.91 -48.85 77.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.003 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.37 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG12 HG13 ' A' ' 13' ' ' VAL . 90.8 mt -57.78 -55.39 21.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.25 -41.02 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.541 0.525 . . . . 0.0 111.013 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.54 -55.62 12.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.525 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -71.82 -19.43 61.98 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.702 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 176.443 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.878 0.37 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 47.8 t -87.51 127.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.88 102.34 51.31 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.272 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.64 -10.06 27.94 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.257 2.638 . . . . 0.0 112.165 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.9 130.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -77.62 93.22 4.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.946 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -111.21 91.57 13.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.689 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 1.2 Cg_endo -44.62 -65.28 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 124.22 3.28 . . . . 0.0 114.106 -171.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HA ' HD22 ' A' ' 59' ' ' LEU . 95.1 mttt -67.3 -25.05 65.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.716 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.32 -41.9 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.328 . . . . 0.0 110.217 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 8' ' ' ALA . 87.0 mt -57.28 -48.63 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.524 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.22 -37.46 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -62.73 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -26.11 67.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -58.87 -27.58 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 111.465 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -100.97 -39.62 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.503 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -86.36 8.88 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.386 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -28.83 -38.16 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -172.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.569 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 6.2 t -117.52 95.68 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.826 0.822 . . . . 0.0 110.104 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.25 -164.44 28.56 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.639 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 33' ' ' GLU . 38.7 t -124.2 127.2 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.424 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.648 HG22 ' HE2' ' A' ' 39' ' ' PHE . 12.6 tt -117.73 149.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER -130.22 97.17 4.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 109.926 -179.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.6 t -91.75 149.36 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -62.41 -46.41 88.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.114 0.483 . . . . 0.0 111.439 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.62 -3.25 58.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.077 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 49' ' ' VAL . 77.0 mt -118.4 -56.51 2.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 0.0 111.055 -175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' TRP . . . 112.28 -150.39 18.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.617 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -75.9 119.73 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.74 0.305 . . . . 0.0 110.993 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 96.5 mt -125.63 111.98 15.61 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 23' ' ' VAL . 43.6 mt-10 -94.76 105.31 17.24 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -109.03 155.48 20.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.152 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' HG2' ' A' ' 36' ' ' LYS . 10.0 tp10 -143.1 142.73 31.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.842 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 68.7 mmtt 63.3 16.71 9.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.444 0.697 . . . . 0.0 110.84 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.87 4.35 87.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.969 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -114.12 133.45 55.56 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.218 1.008 . . . . 0.0 110.298 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.648 ' HE2' HG22 ' A' ' 24' ' ' ILE . 59.3 m-85 -85.05 126.67 33.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.302 -171.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.157 177.717 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo . . . . . 0 CA--C 1.532 0.425 0 N-CA-C 114.068 0.757 . . . . 0.0 114.068 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -65.19 -30.44 71.35 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.354 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.537 ' HA ' HD21 ' A' ' 29' ' ' LEU . 25.5 t -76.69 -46.39 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.63 -43.44 98.84 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.923 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.06 -45.95 86.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.838 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.71 -42.69 97.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.789 -175.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.05 -46.17 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.33 -29.97 66.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.765 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.67 -45.94 87.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.3 mt -61.68 -42.08 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.82 -50.28 68.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.124 0.487 . . . . 0.0 110.292 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.65 -43.24 99.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 10' ' ' LYS . 31.9 tp -61.06 -36.33 79.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.371 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 56' ' ' LEU . 85.9 mt -59.73 -47.33 91.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -71.71 -8.37 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.562 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.38 19.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -85.95 -28.94 23.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.255 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 p30 . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -178.811 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 . . . . . 0 N--CA 1.461 0.123 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -106.07 137.21 37.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HE2' HD21 ' A' ' 11' ' ' LEU . 40.4 m-85 -123.8 95.08 45.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -78.12 -18.36 12.86 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.191 2.594 . . . . 0.0 112.334 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.5 -31.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.367 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 t80 62.67 91.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.477 0.656 . . . . 0.0 110.596 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -119.13 104.55 46.04 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.886 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -45.57 -60.94 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.7 2.933 . . . . 0.0 114.115 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HZ3' HD12 ' A' ' 59' ' ' LEU . 67.3 mttm -63.55 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.139 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.516 HD21 ' HE2' ' A' ' 4' ' ' PHE . 2.3 tt -60.94 -45.6 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.86 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 71.6 mt -65.14 -50.76 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 60' ' ' ILE . 76.9 t -56.86 -46.59 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.499 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -63.99 -38.36 90.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.219 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.4 -28.28 52.66 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.023 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.37 66.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.03 -35.97 74.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.097 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -90.61 -38.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.945 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -82.27 12.32 4.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.583 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 36' ' ' LYS . 12.7 tp -23.94 -43.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.984 1.714 . . . . 0.0 114.95 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 5.1 t -125.01 79.94 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.0 0.905 . . . . 0.0 110.419 170.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.79 -173.37 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.439 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 t -125.64 136.78 59.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.454 0.645 . . . . 0.0 111.413 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -127.4 124.58 64.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.813 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 31' ' ' ARG . 2.2 t-105 -95.31 110.95 22.89 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 t -102.95 151.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -75.91 -6.29 50.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.0 -45.06 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.566 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.724 HD13 HD13 ' A' ' 32' ' ' LEU . 60.3 mt -112.37 -11.33 13.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.778 0.323 . . . . 0.0 111.573 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -149.92 19.99 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.347 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 13.6 ptt180 -81.73 120.78 25.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.216 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.724 HD13 HD13 ' A' ' 29' ' ' LEU . 95.9 mt -111.86 116.82 31.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.07 135.86 38.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 3.6 p90 -132.16 150.34 52.18 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.43 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 29.9 tt0 -135.64 125.35 25.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.889 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 mmmm 55.86 42.48 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.807 177.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 20' ' ' LEU . . . 82.43 -8.3 61.98 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.025 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -96.85 124.11 40.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.436 0.636 . . . . 0.0 110.342 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 12.6 m-85 -74.43 2.42 9.53 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.84 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.234 0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.891 176.11 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo . . . . . 0 N--CA 1.477 0.539 0 N-CA-C 113.217 0.43 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -82.58 -38.25 23.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.342 0.591 . . . . 0.0 110.622 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' HA ' HD21 ' A' ' 29' ' ' LEU . 20.8 t -79.01 -41.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.738 -168.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 64.2 tttm -63.36 -24.73 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.119 -177.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.99 -51.04 61.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.037 0.446 . . . . 0.0 109.855 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 29' ' ' LEU . . . -72.05 -36.46 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.624 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 50' ' ' LYS . 29.9 mt -56.67 -42.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.33 -42.91 99.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.65 -49.1 78.87 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.855 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.531 ' O ' HG13 ' A' ' 60' ' ' ILE . 86.5 mt -66.38 -47.45 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.835 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 53' ' ' ILE . 25.2 m-80 -66.73 -35.3 79.78 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -176.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.98 -43.14 99.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.513 0.673 . . . . 0.0 109.205 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.577 HD12 ' HZ3' ' A' ' 10' ' ' LYS . 54.0 tp -63.46 -38.21 90.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.619 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.4 mt -60.58 -58.22 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 14.7 pt-20 -64.95 -25.4 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.36 -47.22 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.428 ' NE2' ' HG ' ' A' ' 59' ' ' LEU . 45.6 mt-30 -74.54 -38.33 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.302 0.572 . . . . 0.0 110.498 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 11.3 t30 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.154 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 2.3 mmp_? . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.689 0.28 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 25' ' ' TRP . 57.9 t -128.33 132.6 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.708 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 24' ' ' ILE . 52.1 m-85 -124.96 106.89 28.59 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' PHE . 4.1 Cg_exo -75.49 8.38 2.63 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 123.193 2.596 . . . . 0.0 112.348 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.25 139.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 36.6 t80 -81.4 93.86 6.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.209 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.64 96.25 16.89 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.42 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -45.6 -56.2 2.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.661 2.908 . . . . 0.0 113.969 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -57.95 -40.58 80.9 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.57 -38.7 87.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.458 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 24' ' ' ILE . 91.4 mt -62.14 -52.25 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 177.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG12 HG12 ' A' ' 60' ' ' ILE . 83.5 t -61.15 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.513 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -63.37 -28.15 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.09 -27.88 22.86 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.567 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.67 63.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -50.74 -35.28 30.72 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.524 0.678 . . . . 0.0 110.94 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -101.08 -37.44 5.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' C ' ' H ' ' A' ' 21' ' ' THR . 58.3 m-85 -96.3 10.17 38.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.486 -171.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.614 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 1.7 pp -52.29 5.16 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -171.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 19' ' ' PHE . 9.6 t -136.07 41.14 2.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.765 0.711 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.42 -143.75 4.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.183 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.96 139.78 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 110.694 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 4' ' ' PHE . 11.5 tt -128.24 130.28 69.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.432 ' HB2' HG23 ' A' ' 3' ' ' VAL . 11.4 m0 -104.96 99.34 8.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.648 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.4 t -92.62 141.84 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -67.55 -45.94 74.2 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.906 0.384 . . . . 0.0 111.401 -174.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 7.3 m-20 -80.94 -15.03 57.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.535 -175.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 94.9 mt -107.83 -63.96 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.791 0.329 . . . . 0.0 111.033 -177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.28 -157.34 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.873 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -78.98 112.03 15.77 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.92 127.03 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.763 0.316 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -104.24 135.15 46.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.862 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -137.12 141.17 42.28 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 -177.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.517 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 32.9 tt0 -128.66 121.79 29.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.486 -173.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 32.1 mmmt 60.28 28.32 17.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.813 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.614 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 89.82 -9.35 77.52 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.68 -177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -88.94 114.32 25.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.679 0.752 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.85 120.2 25.35 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.371 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.966 0.412 . . . . 0.0 110.938 -178.053 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 26.5 Cg_endo . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.827 0.261 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.41 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.25 -40.28 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 63.4 tttp -55.28 -56.02 24.77 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.071 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 2.1 mp0 -67.11 -30.27 70.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.124 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.99 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -66.14 -35.95 76.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.398 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 73.4 mm-40 -58.78 -39.55 81.38 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.756 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 72.2 mt -63.55 -46.82 84.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.486 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -66.37 -37.76 86.02 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.571 0.7 . . . . 0.0 109.411 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -42.65 90.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.65 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.39 -34.58 78.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.201 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.8 mt -59.92 -45.93 94.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.39 -28.72 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.483 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -78.14 -11.22 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.074 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 3.8 t-20 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.448 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.983 0.421 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.551 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 35.4 m -86.15 144.17 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.027 173.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -119.9 95.21 49.09 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.348 . . . . 0.0 110.611 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.27 0.09 9.79 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.113 2.542 . . . . 0.0 111.696 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.05 122.46 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.064 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -87.19 97.7 10.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . . . -123.77 103.14 34.48 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.187 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 5.6 Cg_exo -42.54 -68.16 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.1 3.2 . . . . 0.0 113.831 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.49 -26.05 66.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.23 -175.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.684 HD23 ' HG2' ' A' ' 10' ' ' LYS . 4.0 mm? -75.18 -53.47 8.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.588 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.62 -50.4 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.729 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 t -62.02 -48.93 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.041 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -70.19 -27.14 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.831 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -78.07 -32.9 50.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 110.553 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -20.22 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.037 0.446 . . . . 0.0 110.536 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.58 -29.79 69.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.148 0.499 . . . . 0.0 110.15 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.64 -43.6 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -81.82 9.51 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.627 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 4.2 pp -32.77 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 ' N ' HD11 ' A' ' 20' ' ' LEU . 4.4 t -121.07 99.74 6.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.494 0.588 . . . . 0.0 110.373 176.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.73 -159.38 29.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.158 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.2 t -132.39 131.14 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.236 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.0 tt -120.15 131.27 72.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.955 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.551 ' HB2' ' HA ' ' A' ' 3' ' ' VAL . 13.0 m95 -102.11 89.29 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.197 0.523 . . . . 0.0 110.267 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.8 t -76.56 149.0 6.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.365 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 5' ' ' PRO . 6.0 tppp? -68.48 -57.4 5.88 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 0.0 111.194 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.42 -23.31 53.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.489 -173.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 89.5 mt -101.9 -82.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.74 -150.95 22.82 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.046 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 31' ' ' ARG . 43.7 ttp180 -77.23 107.89 9.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 24' ' ' ILE . 96.7 mt -115.69 133.84 55.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.354 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -108.94 136.12 49.0 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -140.94 140.41 34.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -176.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.554 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.3 tt0 -133.63 130.07 37.78 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.296 -175.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.554 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 94.0 mttt 63.44 24.15 14.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.911 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.07 -9.38 76.59 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.5 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -98.51 105.73 17.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.936 0.874 . . . . 0.0 110.289 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 4.8 m-85 -57.74 124.8 20.4 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.103 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 -178.291 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo . . . . . 0 CA--C 1.53 0.32 0 N-CA-C 113.611 0.581 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -63.75 -42.7 97.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.968 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 53' ' ' ILE . 42.4 t -64.92 -42.34 94.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.825 -176.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.376 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.09 -39.84 83.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -69.8 -43.27 72.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 49' ' ' VAL . 44.9 mm -60.66 -48.5 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.637 0.256 . . . . 0.0 110.854 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -39.33 93.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -58.63 -51.57 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.275 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' O ' HG13 ' A' ' 60' ' ' ILE . 74.5 mt -62.55 -44.87 95.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.016 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -40.18 94.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.52 -49.97 71.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.222 0.534 . . . . 0.0 109.736 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 13' ' ' VAL . 29.6 tp -57.58 -34.35 69.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.274 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.1 mt -57.28 -54.83 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 121.035 0.445 . . . . 0.0 109.828 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.63 -31.17 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.149 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.43 85.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.287 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -69.69 -29.12 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.832 0.349 . . . . 0.0 110.823 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.65 177.494 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.546 0.212 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -107.98 141.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.938 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -118.39 105.03 47.01 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.12 1.4 8.97 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.197 2.598 . . . . 0.0 111.379 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -133.58 133.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.303 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.578 ' HH ' ' HB1' ' A' ' 52' ' ' ALA . 88.2 t80 -94.49 96.8 9.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.93 0.395 . . . . 0.0 109.99 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.19 100.54 15.46 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.038 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.16 -59.03 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.689 2.926 . . . . 0.0 113.775 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -62.58 -30.41 71.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.62 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.1 tp -72.89 -48.47 37.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.999 0.428 . . . . 0.0 109.992 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.32 -49.17 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.95 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG23 HD22 ' A' ' 59' ' ' LEU . 74.9 t -58.55 -48.09 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 123.302 0.376 . . . . 0.0 111.433 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -65.13 -38.33 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -76.27 -33.08 59.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.61 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.337 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.44 178.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -93.02 -27.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.561 0.696 . . . . 0.0 110.449 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.06 10.02 41.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.348 -174.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 21' ' ' THR . 3.5 pp -29.5 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -172.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.462 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.4 t -120.01 98.07 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.1 0.864 . . . . 0.0 109.993 170.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.92 33.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.804 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.78 122.94 69.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.619 0.247 . . . . 0.0 110.919 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 tt -118.66 145.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.17 106.94 12.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.798 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 t -95.26 155.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.52 -54.72 31.86 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.898 0.38 . . . . 0.0 111.578 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.73 -45.53 15.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.688 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.24 -27.97 42.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.703 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.5 -155.19 24.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.241 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -75.79 121.1 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.381 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -122.5 140.36 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.008 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -105.45 137.27 43.55 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 1.3 p90 -133.53 142.58 48.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.994 0.426 . . . . 0.0 110.354 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -127.7 121.34 30.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.671 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 64.45 27.35 13.54 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.485 0.49 . . . . 0.0 110.728 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.12 -17.02 58.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.538 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -80.26 104.3 10.72 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.652 0.739 . . . . 0.0 110.33 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 30.0 m-85 -59.35 118.31 5.82 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.612 172.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.976 179.488 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 CA--C 1.528 0.224 0 N-CA-C 113.046 0.364 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.01 -33.13 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.765 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . 95.1 t -68.89 -43.86 82.1 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.27 -175.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -56.68 -46.53 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.798 0.332 . . . . 0.0 110.58 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -60.05 -45.42 92.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.369 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.578 ' HB1' ' HH ' ' A' ' 7' ' ' TYR . . . -68.3 -37.16 80.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.969 0.414 . . . . 0.0 111.241 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 39' ' ' PHE . 28.9 mm -65.87 -40.01 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.438 177.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.27 -35.0 78.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.415 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.28 -50.12 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.9 0.381 . . . . 0.0 110.513 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 60' ' ' ILE . 97.3 mt -61.36 -46.82 88.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -65.16 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.76 -41.01 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 109.542 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD22 HG23 ' A' ' 13' ' ' VAL . 59.1 tp -58.28 -41.72 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.306 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -59.19 -46.41 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.218 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.52 -42.49 92.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.067 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.46 83.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.496 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -73.13 -18.91 61.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 0.0 110.283 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.53 -177.761 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.16 136.17 48.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 110.944 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -127.15 103.17 23.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.307 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.44 -5.44 17.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.088 2.526 . . . . 0.0 112.142 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.28 146.36 34.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.327 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -88.21 100.99 13.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 0.0 110.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.77 94.94 30.43 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.44 -62.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.736 2.957 . . . . 0.0 113.939 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HA ' HD22 ' A' ' 59' ' ' LEU . 67.3 mttm -59.41 -38.53 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.07 -50.53 65.81 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.17 -49.24 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 HD23 ' A' ' 59' ' ' LEU . 38.7 t -64.13 -42.51 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.073 -177.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -75.76 -31.44 59.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.29 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.23 -29.88 70.72 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.15 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -10.51 59.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.7 -51.2 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.385 0.612 . . . . 0.0 110.446 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' THR . 75.4 m-85 -93.26 11.82 26.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.597 -173.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 36' ' ' LYS . 1.3 pp -28.69 -28.15 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -172.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.483 ' N ' HD13 ' A' ' 20' ' ' LEU . 6.8 t -116.16 106.86 14.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 119.408 1.003 . . . . 0.0 110.802 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.9 23.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.586 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.69 125.24 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 122.521 0.329 . . . . 0.0 110.277 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' CE1' ' A' ' 34' ' ' PHE . 12.4 tt -119.16 144.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -128.07 106.37 9.02 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 t -102.51 154.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.977 0.418 . . . . 0.0 111.07 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.37 -39.66 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.775 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.99 -14.65 19.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.947 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 -150.86 32.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.068 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -83.81 134.79 34.7 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.8 mt -135.73 124.42 23.8 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.56 101.54 12.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 4.1 p90 -101.12 124.46 46.87 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.4 tt0 -129.34 117.35 20.49 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.573 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 20' ' ' LEU . 44.7 mtmt 62.91 31.63 16.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.283 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 93.36 -4.53 73.71 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.902 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -103.24 121.96 43.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.711 0.767 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.18 13.32 9.72 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.093 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.53 0.175 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.092 -175.418 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 C--O 1.233 0.242 0 CA-C-O 120.723 0.218 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -35.99 70.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' ILE . 62.2 t -62.91 -47.91 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.93 -37.37 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.366 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.3 -38.35 86.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.961 0.41 . . . . 0.0 110.435 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -65.86 -38.43 88.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.507 177.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 49' ' ' VAL . 82.6 mt -58.3 -45.08 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.303 175.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.84 -48.06 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.646 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.86 -43.49 98.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.584 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 52' ' ' ALA . 60.0 mt -65.29 -47.17 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.502 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.499 HD21 HD13 ' A' ' 60' ' ' ILE . 8.6 m120 -66.73 -32.18 73.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 13' ' ' VAL . 52.0 tp -57.55 -43.5 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.551 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.499 HD13 HD21 ' A' ' 57' ' ' ASN . 86.7 mt -61.26 -50.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.807 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.62 -31.1 69.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.957 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.99 86.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.361 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.71 -37.91 73.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.649 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 121.248 0.547 . . . . 0.0 110.373 176.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 24.5 mmt180 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.433 HG21 ' HB3' ' A' ' 25' ' ' TRP . 72.1 t -103.24 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.851 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -95.93 116.24 66.09 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.007 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.85 2.09 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.8 2.334 . . . . 0.0 111.754 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.02 152.78 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.103 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -102.66 93.23 4.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.939 0.4 . . . . 0.0 110.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -126.07 92.27 46.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -48.27 -56.26 3.29 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.708 2.939 . . . . 0.0 113.898 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.05 -40.77 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.788 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.66 -45.16 95.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 110.539 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 8' ' ' ALA . 77.2 mt -57.81 -45.08 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.487 HG11 ' HG3' ' A' ' 63' ' ' GLN . 75.1 t -62.23 -44.4 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.257 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -66.5 -34.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.148 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -68.49 -41.36 80.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.446 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -29.93 68.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.846 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.923 0.392 . . . . 0.0 111.015 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.0 -39.27 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.089 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.01 11.47 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.884 -172.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 21' ' ' THR . 4.0 pp -29.2 -33.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -109.91 97.79 7.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 0.0 109.979 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.25 -175.59 44.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.373 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -124.49 134.97 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 0.0 110.662 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 HG21 ' HB2' ' A' ' 32' ' ' LEU . 9.5 tt -119.02 138.02 51.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' HB3' HG21 ' A' ' 3' ' ' VAL . 2.2 t90 -121.6 107.09 11.98 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.75 148.22 6.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.36 -30.38 67.29 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.033 0.444 . . . . 0.0 110.846 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.48 -58.09 3.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 49' ' ' VAL . 73.8 mt -84.76 -49.84 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.983 -172.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.23 -149.43 16.84 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -86.19 131.6 34.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' HG21 ' A' ' 24' ' ' ILE . 90.2 mt -130.57 114.17 15.14 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.77 119.41 36.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 109.988 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 13.8 p90 -117.87 145.97 44.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -176.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 15.8 tp10 -137.57 134.23 35.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.104 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.501 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 60.4 mttm 64.31 17.53 10.79 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.351 0.407 . . . . 0.0 110.886 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -6.41 83.68 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.017 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -94.73 119.24 33.03 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.016 0.913 . . . . 0.0 110.06 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 16.8 m-85 -74.58 115.25 13.92 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.859 -1.518 . . . . 0.0 111.166 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.355 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.473 0.275 0 N-CA-C 113.054 0.367 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.88 -44.55 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.71 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HA ' HD21 ' A' ' 29' ' ' LEU . 54.3 t -65.14 -45.97 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.347 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 58.3 mtpt -60.48 -40.85 92.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.39 -47.97 82.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.833 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 49' ' ' VAL . 80.3 mt -63.59 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 79.1 mt -64.7 -37.85 88.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.994 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.91 -42.9 99.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.12 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 60' ' ' ILE . 84.8 mt -64.97 -43.98 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.918 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -40.54 81.36 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.69 -50.79 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.445 0.641 . . . . 0.0 110.001 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 40.4 tp -60.08 -38.9 84.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.121 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.0 mt -57.96 -48.37 84.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.512 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.125 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.61 98.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.487 ' HG3' HG11 ' A' ' 13' ' ' VAL . 17.6 mm-40 -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.103 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.996 -176.542 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.647 0.26 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 25' ' ' TRP . 53.9 t -106.44 132.37 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.802 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.46 107.03 43.64 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.001 0.429 . . . . 0.0 111.057 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.73 -6.64 17.05 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.029 2.486 . . . . 0.0 111.099 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.68 134.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.894 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -92.83 98.43 11.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.697 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -116.57 94.88 44.59 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.093 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 2.4 Cg_endo -46.72 -62.31 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.826 3.017 . . . . 0.0 113.488 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HA ' HD22 ' A' ' 59' ' ' LEU . 23.6 mmmt -53.92 -45.43 71.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.416 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -67.48 -47.61 69.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.69 -52.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 60' ' ' ILE . 98.9 t -66.04 -36.86 78.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.343 -178.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.05 -46.82 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.388 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.745 -176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.29 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 6.4 tmm_? -65.72 -23.41 66.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -98.38 -35.78 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.486 0.66 . . . . 0.0 110.43 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.3 m-85 -93.51 12.18 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.227 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -29.31 -22.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.455 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.7 t -111.89 100.64 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 119.188 0.903 . . . . 0.0 110.325 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.4 -166.15 39.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 t -127.64 140.4 49.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.63 0.252 . . . . 0.0 110.343 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 tt -125.29 127.63 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.889 0.376 . . . . 0.0 110.146 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.446 ' HB2' HG23 ' A' ' 3' ' ' VAL . 14.5 m95 -99.67 88.03 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.101 0.477 . . . . 0.0 110.953 -176.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.24 147.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -41.04 69.69 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -171.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -73.79 -46.56 44.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.44 -29.65 17.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.488 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.39 -154.24 18.98 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.796 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -72.15 120.57 17.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.747 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.2 mt -115.41 114.15 24.7 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.63 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -93.5 139.22 30.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.116 0.484 . . . . 0.0 109.832 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.74 147.87 38.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.4 tt0 -144.51 144.88 31.56 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 176.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 22.8 mttp 66.15 16.57 10.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.575 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.65 5.14 89.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.813 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -115.46 111.92 21.5 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 122.311 1.053 . . . . 0.0 110.607 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.05 133.26 43.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.022 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.598 -177.498 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo . . . . . 0 CA--C 1.53 0.285 0 N-CA-C 113.96 0.715 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -59.85 -49.54 77.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.387 0.613 . . . . 0.0 110.846 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.27 -46.7 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.907 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.89 -41.86 95.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -59.63 -47.85 83.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.704 0.288 . . . . 0.0 110.871 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -62.01 -50.51 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.49 -42.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.988 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.71 92.54 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.055 0.455 . . . . 0.0 110.603 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.32 -33.27 71.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.295 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.6 mt -66.19 -43.24 87.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 174.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.527 HD21 HD11 ' A' ' 60' ' ' ILE . 14.3 m120 -58.17 -39.69 79.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.89 -43.22 85.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.888 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 10' ' ' LYS . 47.8 tp -67.12 -36.79 82.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.852 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 56' ' ' LEU . 74.5 mt -63.42 -49.09 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 110.539 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -68.09 -23.7 64.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.78 76.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.112 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.37 -31.41 65.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.218 0.532 . . . . 0.0 110.255 174.905 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.76 119.33 57.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -116.82 109.1 43.57 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.85 -21.8 18.25 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.618 2.212 . . . . 0.0 111.759 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 m -104.68 130.48 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.945 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.41 97.65 10.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.457 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.28 96.47 28.02 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.98 -53.74 6.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.711 2.941 . . . . 0.0 113.293 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' HD22 ' A' ' 59' ' ' LEU . 4.1 tppp? -50.35 -53.42 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.6 . . . . 0.0 111.494 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.11 -53.93 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.733 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG11 HG12 ' A' ' 60' ' ' ILE . 94.0 t -66.84 -37.66 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.24 -36.38 79.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -90.5 -13.06 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.81 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.38 64.14 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -64.04 -21.04 66.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.789 0.328 . . . . 0.0 111.636 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.98 -44.79 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.059 0.457 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.85 10.55 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 21' ' ' THR . 3.2 pp -32.96 -29.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.519 ' N ' HD12 ' A' ' 20' ' ' LEU . 1.8 t -114.37 106.27 14.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.078 0.399 . . . . 0.0 109.983 172.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.29 -150.1 15.55 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.748 -1.215 . . . . 0.0 113.136 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.68 135.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.377 0.608 . . . . 0.0 110.932 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.2 tt -123.38 140.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.901 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -114.8 111.59 21.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.19 152.88 5.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -72.01 -52.28 17.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.71 -48.67 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.28 -58.69 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.6 -152.05 20.14 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -87.18 128.27 35.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 24' ' ' ILE . 87.7 mt -117.65 144.02 45.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.42 . . . . 0.0 110.853 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -118.63 129.73 55.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.711 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -144.47 144.39 31.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 111.527 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 41.4 tt0 -134.2 136.9 44.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.134 175.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 97.8 mttt 65.56 20.45 11.65 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.16 0.505 . . . . 0.0 110.21 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.74 -14.34 58.63 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.199 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -94.14 123.71 37.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.155 0.979 . . . . 0.0 110.812 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -74.75 130.78 40.09 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.53 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.353 -178.626 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo . . . . . 0 N--CA 1.472 0.258 0 N-CA-C 113.185 0.417 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -60.75 -37.47 81.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.17 -44.51 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.689 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 85.5 tttt -60.57 -45.97 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.99 -45.08 94.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.765 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.15 -46.0 89.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.53 -40.13 83.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.662 0.268 . . . . 0.0 110.943 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.8 mt -65.47 -44.2 87.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -35.95 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 60' ' ' ILE . 56.8 mt -64.19 -45.69 87.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.538 ' HA ' HD13 ' A' ' 60' ' ' ILE . 16.2 m-80 -59.91 -32.85 71.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.19 -52.89 61.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.734 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 10' ' ' LYS . 43.3 tp -59.13 -39.14 81.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.766 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.2 mt -59.15 -54.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.25 -27.65 66.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.891 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.62 -27.18 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 111.371 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -87.63 -17.0 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.867 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.391 173.438 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HB3' HG12 ' A' ' 24' ' ' ILE . 6.0 tpp180 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.524 HG23 ' HB2' ' A' ' 25' ' ' TRP . 59.2 t -103.81 128.71 56.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.965 0.412 . . . . 0.0 111.623 -176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -111.78 120.94 41.09 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.17 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.53 -25.62 47.69 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.988 2.458 . . . . 0.0 112.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -128.48 147.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -63.03 97.48 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -120.31 82.81 31.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.94 -54.57 4.86 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.803 3.002 . . . . 0.0 112.877 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -50.28 -47.91 55.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.405 -1.27 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 8' ' ' ALA . 8.4 mp -66.71 -45.01 80.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -178.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.4 mt -58.35 -52.43 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.938 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG13 HG12 ' A' ' 60' ' ' ILE . 77.1 t -61.0 -45.33 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.207 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.25 -27.33 65.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.188 -174.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -87.04 -24.86 24.47 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.206 -0.309 . . . . 0.0 110.824 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.62 -22.4 65.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 111.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -56.2 -38.18 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 110.738 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.12 -34.82 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 77.7 m-85 -89.0 9.59 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.799 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 21' ' ' THR . 3.1 pp -32.39 -27.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.492 ' N ' HD11 ' A' ' 20' ' ' LEU . 2.1 t -113.1 101.26 9.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.454 0.57 . . . . 0.0 110.359 175.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.24 -165.71 38.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.844 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.547 HG21 ' HG3' ' A' ' 33' ' ' GLU . 14.8 t -132.8 135.56 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.611 HG12 ' HB3' ' A' ' 2' ' ' ARG . 14.0 mt -118.36 126.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.524 ' HB2' HG23 ' A' ' 3' ' ' VAL . 15.1 m95 -104.03 113.23 26.62 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.379 0.609 . . . . 0.0 111.132 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -105.09 146.51 12.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.0 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -70.85 -38.89 73.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.313 0.578 . . . . 0.0 110.433 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.6 -25.48 63.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.075 -175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 49' ' ' VAL . 89.2 mt -118.45 -68.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 111.339 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.7 -136.22 6.32 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptp85 -79.2 130.2 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.65 90.56 3.36 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HG3' HG21 ' A' ' 23' ' ' VAL . 31.5 tt0 -91.35 135.97 33.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.547 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 12.8 p90 -146.76 150.78 36.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.15 0.5 . . . . 0.0 111.034 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -141.19 131.91 25.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.331 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 63.31 19.84 11.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.31 0.381 . . . . 0.0 111.164 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.51 -8.94 76.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.7 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -96.08 117.66 31.13 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-O 121.49 0.662 . . . . 0.0 110.413 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 23.8 m-85 -58.19 121.85 11.73 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.344 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' HG2' ' A' ' 33' ' ' GLU . 85.0 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.011 0.434 . . . . 0.0 110.517 -176.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 CA--C 1.528 0.191 0 N-CA-C 113.316 0.468 . . . . 0.0 113.316 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.29 -48.29 80.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.491 ' HA ' HD21 ' A' ' 29' ' ' LEU . 44.8 t -76.47 -40.99 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.285 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -57.29 -47.7 80.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.573 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.9 -39.67 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.718 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -64.69 -40.43 95.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 49' ' ' VAL . 76.0 mt -64.25 -32.86 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.66 -45.37 90.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.035 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.33 -41.05 92.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.2 mt -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.03 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.455 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.7 m-80 -63.2 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.09 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.224 0.535 . . . . 0.0 109.842 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 HG22 ' A' ' 13' ' ' VAL . 42.7 tp -57.88 -40.12 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.451 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 56' ' ' LEU . 81.8 mt -57.24 -53.15 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.15 -46.28 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.83 71.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -82.05 -18.84 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.237 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.506 0.193 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -104.02 115.04 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.428 -175.271 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 25' ' ' TRP . 33.9 m -86.36 151.74 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 111.005 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 52.8 m-85 -132.16 103.38 14.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.35 -12.6 32.05 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.083 2.522 . . . . 0.0 112.249 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.17 157.86 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -80.56 -85.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 11' ' ' LEU . . . 53.17 81.05 0.27 Allowed Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 123.447 0.467 . . . . 0.0 111.943 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.58 -54.7 5.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.338 2.692 . . . . 0.0 113.538 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.7 ptpt -65.44 -28.73 69.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.398 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 10' ' ' LYS . 10.6 mp -72.62 -36.92 68.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.9 -54.12 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.499 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG12 HG12 ' A' ' 60' ' ' ILE . 87.2 t -62.17 -44.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.224 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.96 -38.55 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 110.913 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -85.71 -20.42 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.27 63.99 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.547 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -58.71 -29.68 66.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.4 mt -100.14 -30.43 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.851 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -100.25 10.5 41.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.613 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 21' ' ' THR . 3.6 pp -29.3 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.627 ' N ' HD13 ' A' ' 20' ' ' LEU . 15.3 t -112.54 112.78 24.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.597 0.713 . . . . 0.0 110.456 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.62 -142.21 7.97 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.049 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.79 139.59 11.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 120.696 0.284 . . . . 0.0 110.436 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 34' ' ' PHE . 27.4 pt -120.23 152.6 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.651 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' HB2' HG11 ' A' ' 3' ' ' VAL . 17.0 m95 -120.48 79.49 1.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.768 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 3.7 t -72.6 142.38 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -11.56 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.54 -37.99 11.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.532 HD13 HD12 ' A' ' 32' ' ' LEU . 84.8 mt -103.8 -55.22 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.17 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 -143.16 14.65 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.028 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -79.29 113.57 17.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 HD13 ' A' ' 29' ' ' LEU . 89.8 mt -120.63 116.73 25.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.9 143.82 27.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.096 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -149.27 136.59 20.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' OE2' ' HG3' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -125.25 112.63 16.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.345 -175.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.541 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.9 mtmp? 55.15 48.23 20.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.754 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.41 -34.1 5.68 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.159 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 38' ' ' ARG . 56.1 mtt180 -86.51 108.6 18.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 122.051 0.929 . . . . 0.0 111.659 -175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 28.9 m-85 -61.69 123.46 18.01 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 113.439 -1.709 . . . . 0.0 110.468 172.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.63 153.81 17.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.27 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.08 110.43 46.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.735 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.41 -43.56 50.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 111.351 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -167.01 -163.77 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.893 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -59.84 -55.26 36.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.306 . . . . 0.0 110.28 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 m 61.2 -164.24 0.24 Allowed 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.221 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.24 143.34 48.51 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.88 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.18 -37.76 39.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.197 2.598 . . . . 0.0 112.518 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -50.54 -50.32 53.65 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.523 ' HA ' HD23 ' A' ' 29' ' ' LEU . 44.5 t -74.22 -43.64 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.936 -176.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' O ' HD11 ' A' ' 54' ' ' LEU . 60.9 tttm -61.8 -48.09 82.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.954 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.27 -35.25 77.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.615 0.245 . . . . 0.0 110.849 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.87 -47.09 87.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.25 -36.49 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD11 ' O ' ' A' ' 50' ' ' LYS . 8.2 mp -64.31 -45.83 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -69.27 -28.11 66.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 60' ' ' ILE . 69.0 mt -65.82 -44.75 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 60' ' ' ILE . 27.9 m-80 -65.42 -32.88 74.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 110.713 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.34 -49.36 77.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.54 0.686 . . . . 0.0 109.722 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 10' ' ' LYS . 41.9 tp -60.9 -38.36 85.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.651 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -56.68 -49.09 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.579 176.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.63 -18.24 63.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.033 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.94 28.89 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.782 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -75.49 -36.44 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.467 . . . . 0.0 110.507 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 66' ' ' GLN . 11.3 t30 -76.08 -70.31 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.205 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 69.79 -38.91 0.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.73 0.812 . . . . 0.0 112.818 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.9 mt-30 -70.35 -65.01 0.78 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.632 0.253 . . . . 0.0 111.094 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.0 m 56.86 85.65 0.08 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.377 0.608 . . . . 0.0 110.143 -172.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -75.9 115.68 15.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.56 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 p -72.32 112.0 8.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.137 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.16 -51.28 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.9 mt -138.15 30.05 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.986 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.79 -28.76 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.993 -176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 77.68 134.05 0.06 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.818 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.062 173.167 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.929 0.395 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 7.5 tpm_? -133.11 113.22 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.99 142.92 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -130.7 111.89 16.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -66.47 -22.38 51.94 Favored 'Trans proline' 0 C--N 1.34 0.101 0 C-N-CA 122.844 2.363 . . . . 0.0 111.727 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 t -125.09 139.67 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.611 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -83.15 80.44 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.533 0.683 . . . . 0.0 109.994 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 11' ' ' LEU . . . -106.9 101.15 35.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.092 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -40.91 -57.96 1.17 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.09 3.194 . . . . 0.0 114.415 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' A' ' 8' ' ' ALA . 10.0 mp -63.99 -40.27 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.0 110.327 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.83 -54.47 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG12 HG12 ' A' ' 60' ' ' ILE . 98.8 t -61.96 -41.49 91.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.588 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -57.15 -41.0 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -84.9 -28.7 25.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.21 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.722 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -67.02 -23.97 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.456 . . . . 0.0 110.693 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -95.03 -43.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.202 0.525 . . . . 0.0 110.392 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -93.35 10.39 32.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.537 -175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -32.03 -26.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.549 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.8 t -116.09 116.38 27.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.737 0.699 . . . . 0.0 110.743 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.08 -148.9 20.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.556 HG13 ' HG2' ' A' ' 33' ' ' GLU . 34.2 m -125.07 152.09 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.824 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' HB ' ' CE2' ' A' ' 34' ' ' PHE . 10.8 tt -131.53 143.87 39.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.679 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 31' ' ' ARG . 2.1 t90 -130.24 107.72 9.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.2 143.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.42 -39.95 81.39 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.866 0.365 . . . . 0.0 110.964 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.24 -35.36 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.842 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.92 -76.68 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.076 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.18 -157.14 27.82 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.543 ' HB2' ' CE3' ' A' ' 25' ' ' TRP . 25.3 ttm180 -86.07 125.11 33.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.613 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB2' HG22 ' A' ' 24' ' ' ILE . 44.4 mt -126.23 171.12 11.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 23' ' ' VAL . 40.4 mt-10 -123.97 170.87 10.19 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.535 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -164.07 147.11 9.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.62 0.724 . . . . 0.0 112.222 172.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 10.4 tp10 -136.14 139.29 42.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 169.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 41.1 mtmt 64.09 11.94 6.6 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.48 0.488 . . . . 0.0 111.018 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 62.62 38.04 95.75 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.092 -174.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 -110.48 -2.67 16.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.614 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 19.4 m-85 67.69 127.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.079 0.942 . . . . 0.0 113.354 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.13 137.42 54.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.234 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD21 ' HE2' ' A' ' 50' ' ' LYS . 1.7 pp -110.73 156.47 40.57 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.141 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -75.93 -172.18 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.793 2.329 . . . . 0.0 111.751 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -68.84 -44.55 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.118 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.73 107.58 18.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 34.9 t -118.45 -30.64 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.843 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 45' ' ' SER . 95.8 mt 77.65 132.58 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.208 0 C-N-CA 123.745 0.818 . . . . 0.0 110.136 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.1 Cg_exo -49.58 -41.64 44.41 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.022 2.482 . . . . 0.0 112.412 -178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -62.75 -32.61 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.489 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 45' ' ' SER . 84.7 t -82.91 -35.76 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.905 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HE2' HD21 ' A' ' 41' ' ' LEU . 59.6 tttm -66.35 -33.3 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.102 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 47' ' ' PRO . 29.3 mm-40 -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.925 0.393 . . . . 0.0 110.343 174.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -66.0 -39.53 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.368 177.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 49' ' ' VAL . 79.1 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.53 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.45 -36.67 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -44.5 96.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.619 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.1 mt -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.617 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.436 HD22 ' HB2' ' A' ' 39' ' ' PHE . 6.6 m120 -57.22 -44.74 84.02 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -61.45 -47.9 83.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.991 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 58.8 tp -54.61 -42.28 70.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.887 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 56' ' ' LEU . 79.9 mt -57.63 -56.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.19 -30.18 69.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.665 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.43 63.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 111.016 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 25.4 mt-30 -94.43 -35.46 12.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.02 -54.57 36.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.4 67.37 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.586 0.707 . . . . 0.0 110.635 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -115.4 -33.14 5.38 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.473 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m 55.59 -140.31 0.91 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.329 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -110.15 -13.53 14.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.433 0.635 . . . . 0.0 109.869 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.41 ' HB ' ' HG2' ' A' ' 72' ' ' GLU . 17.7 m -78.27 130.83 36.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.314 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.88 90.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 73' ' ' HIS . 41.5 tp 62.21 107.45 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 O-C-N 124.123 0.889 . . . . 0.0 110.89 -174.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HG2' ' HB ' ' A' ' 69' ' ' THR . 43.4 mt-10 -80.51 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.076 -176.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 71' ' ' LEU . 34.8 t60 -74.29 87.88 2.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.906 176.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.9 t60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 -176.462 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.669 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 65.1 mtm . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -100.4 145.33 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.65 130.41 73.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.758 0.314 . . . . 0.0 110.297 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -125.96 111.07 24.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.295 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 73.8 Cg_endo -75.52 1.09 8.37 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.963 2.442 . . . . 0.0 112.763 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.17 140.43 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.206 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.527 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 48.5 t80 -83.14 92.73 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.124 0.487 . . . . 0.0 110.015 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.08 90.11 51.53 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -42.94 -51.09 5.71 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.683 2.922 . . . . 0.0 112.87 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -49.02 -57.11 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.447 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.45 -40.77 96.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.113 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.63 -56.2 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG12 HG12 ' A' ' 60' ' ' ILE . 95.4 t -65.05 -34.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.32 -43.91 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 110.865 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -84.1 -27.57 28.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.172 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.45 -25.6 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.639 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -64.46 -23.8 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.089 0.471 . . . . 0.0 110.692 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -100.24 -46.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.186 0.517 . . . . 0.0 110.515 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.1 10.04 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.869 -176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 HD13 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -31.77 -27.39 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -174.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.499 ' N ' HD13 ' A' ' 20' ' ' LEU . 6.3 t -115.88 97.37 6.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 119.245 0.93 . . . . 0.0 110.378 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.2 -167.5 36.76 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 26.3 t -123.06 136.67 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG22 ' HE2' ' A' ' 39' ' ' PHE . 11.2 tt -121.78 141.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -120.63 100.03 6.89 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 t -90.41 147.36 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 12.5 tppt? -76.29 -31.18 58.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.527 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 3.9 m-20 -91.89 5.33 50.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.393 -177.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 96.3 mt -139.13 -61.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.238 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.6 -153.79 20.61 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -84.07 130.61 34.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.089 0.471 . . . . 0.0 110.886 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -134.32 136.2 43.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.815 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG2' HG23 ' A' ' 23' ' ' VAL . 39.1 mt-10 -108.76 135.62 49.67 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 14.4 p90 -134.38 152.47 51.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 111.612 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.39 136.29 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.603 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.14 17.49 11.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.954 0.406 . . . . 0.0 110.46 -175.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.55 -17.45 52.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.759 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -90.96 116.54 28.85 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.355 1.074 . . . . 0.0 110.673 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.666 ' HE2' HG22 ' A' ' 24' ' ' ILE . 83.7 m-85 -56.25 125.69 22.92 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.442 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -91.54 108.51 19.95 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.3 tp -95.65 103.75 13.84 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.81 -62.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 111.831 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -134.2 162.68 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.768 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -60.6 130.85 48.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -135.28 -82.38 0.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 HD22 HG23 ' A' ' 49' ' ' VAL . 34.7 tp -109.11 124.64 33.52 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' HD12 ' A' ' 46' ' ' LEU . 55.3 Cg_exo -53.37 -39.3 82.02 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.272 2.648 . . . . 0.0 113.44 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.38 -32.83 73.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.553 HG23 HD22 ' A' ' 46' ' ' LEU . 63.7 t -69.48 -41.49 80.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -60.04 -47.14 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.712 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 7.5 tp60 -58.84 -45.74 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.323 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -57.12 -52.3 65.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 39' ' ' PHE . 74.1 mt -56.95 -44.68 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.133 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.468 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 42.3 mt-10 -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 60' ' ' ILE . 85.6 mt -64.62 -44.96 88.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.509 ' HA ' HD13 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -61.99 -34.84 76.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.81 -51.46 69.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -61.26 -38.12 85.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.922 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 56' ' ' LEU . 94.0 mt -58.34 -55.24 23.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.669 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.593 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 34.6 tt0 -67.66 -30.58 70.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -176.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.64 83.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.225 0.536 . . . . 0.0 110.511 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -82.09 -32.07 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.398 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 26.3 t-20 -60.95 -39.21 88.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.76 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.86 -30.26 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.692 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 60.93 84.92 0.12 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.47 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -152.37 112.38 4.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.359 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 33.3 ttmt -71.19 126.88 30.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.894 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 p -68.68 162.84 25.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 112.457 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.64 -156.44 0.27 Allowed 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.519 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.4 tp -75.27 84.98 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.223 0.535 . . . . 0.0 110.766 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -91.13 4.2 52.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.379 0.609 . . . . 0.0 110.263 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -85.2 94.3 8.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.711 176.041 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.427 ' HB3' HG12 ' A' ' 24' ' ' ILE . 42.6 ttm180 -88.77 106.25 18.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 25' ' ' TRP . 20.1 m -88.63 141.93 13.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -124.32 105.76 30.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.639 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 14.9 Cg_exo -69.6 -22.07 33.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.747 2.298 . . . . 0.0 111.431 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.52 154.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.253 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -100.85 103.8 15.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -115.76 97.03 48.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.27 -63.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.448 2.766 . . . . 0.0 113.534 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.06 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.723 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.92 -43.25 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 8' ' ' ALA . 81.5 mt -60.19 -52.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.658 0.266 . . . . 0.0 110.644 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG11 HG12 ' A' ' 60' ' ' ILE . 66.3 t -63.1 -41.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.24 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.08 -29.77 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.182 0.515 . . . . 0.0 111.133 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -91.57 -9.74 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.44 -11.84 44.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.399 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -57.13 -43.4 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.769 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.4 mt -94.66 -30.46 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.423 0.63 . . . . 0.0 110.982 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.08 12.1 35.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.072 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 21' ' ' THR . 1.9 pp -35.67 -17.68 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.0 t -112.18 100.16 8.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.08 0.854 . . . . 0.0 110.347 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.74 -165.82 38.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.401 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG13 ' HG2' ' A' ' 33' ' ' GLU . 19.9 m -129.5 146.73 33.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.971 0.415 . . . . 0.0 111.295 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.427 HG12 ' HB3' ' A' ' 2' ' ' ARG . 23.8 mt -131.62 133.88 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.248 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.595 ' HB2' HG11 ' A' ' 3' ' ' VAL . 11.7 m95 -110.11 94.94 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.71 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 t -86.6 150.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.639 ' HG2' ' HA ' ' A' ' 5' ' ' PRO . 72.4 mmtt -68.55 -24.5 64.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.11 -51.6 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.086 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 32' ' ' LEU . 89.7 mt -90.58 -16.75 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.055 -173.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -80.94 1.21 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.716 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -140.52 124.12 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 29' ' ' LEU . 92.7 mt -117.62 130.89 56.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' HG13 ' A' ' 23' ' ' VAL . 34.4 mt-10 -114.46 129.36 56.65 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 27.7 p90 -140.34 143.56 35.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.13 0.49 . . . . 0.0 111.462 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -132.68 127.42 34.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.586 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HZ1' ' HB2' ' A' ' 36' ' ' LYS . 8.7 mtmp? 66.84 23.48 10.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.676 176.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 99.24 -23.2 37.28 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.442 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -85.25 102.84 13.68 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 111.043 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 50.3 m-85 -55.07 123.4 13.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.791 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -95.92 129.64 43.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 tp -75.23 120.67 82.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.045 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -68.59 82.12 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.221 2.614 . . . . 0.0 112.372 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 66.79 -80.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.474 0.71 . . . . 0.0 111.655 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.466 ' C ' ' HG ' ' A' ' 45' ' ' SER . 49.4 tttm -142.99 -41.76 0.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.634 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.466 ' HG ' ' C ' ' A' ' 44' ' ' LYS . 69.2 p 55.8 -95.52 0.05 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.305 1.042 . . . . 0.0 112.681 177.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 48' ' ' LYS . 5.7 tt -160.47 140.45 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.65 -48.08 14.59 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.467 2.778 . . . . 0.0 113.652 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' H ' HD23 ' A' ' 46' ' ' LEU . 47.5 tttm -58.74 -41.89 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 0.0 110.92 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 HG11 HD23 ' A' ' 29' ' ' LEU . 99.3 t -66.51 -43.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.292 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 57.2 mtpt -58.05 -44.86 87.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.356 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -55.82 -43.66 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.905 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.98 -38.81 83.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 49' ' ' VAL . 43.3 mm -60.88 -48.05 90.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.273 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 78.2 mt -60.54 -40.02 90.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.057 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.67 -43.13 99.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.632 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.8 mt -64.29 -46.68 82.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.714 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -41.67 87.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.712 0.291 . . . . 0.0 110.456 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.4 -51.97 67.58 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.726 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 53.1 tp -58.08 -45.03 87.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.484 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -57.06 -52.95 49.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 110.582 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.15 -25.2 66.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.758 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.29 -22.61 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.437 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 66.1 mt-30 -76.12 -41.22 50.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.01 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -75.55 -71.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.969 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t60 54.64 39.13 31.04 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.365 0.602 . . . . 0.0 111.236 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -100.89 153.3 19.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 p -89.82 10.06 25.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -75.93 87.11 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.126 0.489 . . . . 0.0 110.677 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 p -79.88 63.04 4.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.628 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.35 13.12 2.26 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.189 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp 60.91 24.4 14.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.126 0.488 . . . . 0.0 110.626 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -85.21 -63.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.239 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 73.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.381 0.673 . . . . 0.0 112.668 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.3 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.429 . . . . 0.0 111.421 -174.67 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -152.04 140.66 20.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.364 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.54 126.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.15 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.5 114.13 57.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.01 0.433 . . . . 0.0 111.501 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 5.5 Cg_exo -78.57 -2.12 12.2 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.045 2.497 . . . . 0.0 111.769 175.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.28 127.81 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -87.5 103.09 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.11 104.46 13.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -44.51 -58.66 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.917 3.078 . . . . 0.0 114.09 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.09 -39.37 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.724 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.66 -37.86 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.56 -52.02 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG12 HG12 ' A' ' 60' ' ' ILE . 87.1 t -62.65 -44.07 99.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.561 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -62.38 -36.97 83.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.257 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -79.45 -29.57 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.736 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.7 68.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.312 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -26.82 68.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.9 mt -101.21 -37.38 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -90.64 8.48 34.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.412 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -29.93 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -175.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.557 ' N ' HD13 ' A' ' 20' ' ' LEU . 9.2 t -111.41 94.09 4.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.553 0.692 . . . . 0.0 110.195 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.1 -153.77 14.44 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.69 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.96 136.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.537 HG21 ' HB2' ' A' ' 32' ' ' LEU . 5.6 tt -120.65 120.05 61.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 109.749 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -99.98 113.57 26.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.151 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -109.33 145.78 15.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 44.0 mtmt -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.647 -174.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.13 0.52 55.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.171 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.62 -59.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.951 0.405 . . . . 0.0 110.746 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.25 -156.33 22.33 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -88.15 116.55 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.22 0.534 . . . . 0.0 110.098 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB2' HG21 ' A' ' 24' ' ' ILE . 90.2 mt -103.51 105.39 15.62 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.14 130.26 35.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.808 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.08 135.62 29.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.118 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.527 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 23.8 tt0 -125.88 127.36 45.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.757 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 55.3 mttp 63.4 21.93 13.02 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.408 0.442 . . . . 0.0 110.399 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.35 -14.58 62.12 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.134 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 102.62 14.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.724 0.773 . . . . 0.0 109.744 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.62 120.59 5.85 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.877 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.4 mt -82.27 -3.4 55.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.702 0.763 . . . . 0.0 110.545 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 53' ' ' ILE . 3.6 mm? -114.42 96.0 41.59 Favored Pre-proline 0 C--N 1.31 -1.143 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.874 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -99.84 -106.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.746 2.964 . . . . 0.0 112.672 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.68 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 19.6 mtm-85 -89.01 -18.72 26.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.557 0.694 . . . . 0.0 109.567 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.55 71.84 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.168 173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.8 p -159.4 -165.98 1.69 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.061 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.03 141.87 63.6 Favored Pre-proline 0 C--O 1.221 -0.447 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -43.97 -56.81 2.23 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.523 2.815 . . . . 0.0 114.264 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 88.3 tttt -72.41 -35.89 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.128 0.49 . . . . 0.0 110.992 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 53' ' ' ILE . 59.9 t -68.78 -37.17 77.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.127 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.68 ' HG3' ' HA ' ' A' ' 43' ' ' ARG . 34.9 ttpt -55.03 -54.03 48.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.474 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.08 -25.57 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.602 -178.251 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -72.94 -43.64 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 41' ' ' LEU . 93.4 mt -61.74 -44.71 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.343 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 97.7 mt -58.58 -44.64 89.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.58 -41.62 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.364 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.1 mt -63.34 -45.97 88.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' HA ' HD13 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -58.69 -39.93 82.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.33 -45.87 82.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.044 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.35 -35.12 76.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.841 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.7 mt -57.1 -53.86 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -40.97 96.22 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.313 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.82 -43.85 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.523 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.99 -35.03 50.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.5 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -77.16 -30.04 54.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 111.512 -176.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -80.7 -21.95 40.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.778 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 67' ' ' THR . 48.0 tt0 -97.03 147.21 24.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.15 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 6.6 t -92.87 171.95 8.65 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.53 158.29 34.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.738 0.304 . . . . 0.0 111.0 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -70.49 113.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.72 -177.66 0.21 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.915 0.76 . . . . 0.0 109.74 -171.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp 64.66 28.89 13.11 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.177 0.513 . . . . 0.0 110.09 -176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -69.22 -8.51 46.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.985 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 43.37 51.9 5.9 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.075 0.86 . . . . 0.0 111.591 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.734 179.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 20.0 mmt180 -107.45 141.63 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.953 -175.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 25' ' ' TRP . 48.6 t -126.66 127.07 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.582 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.61 ' CD1' HD13 ' A' ' 24' ' ' ILE . 55.6 m-85 -120.73 98.52 47.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 111.077 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 12.7 Cg_exo -71.26 -32.78 12.29 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.7 2.267 . . . . 0.0 111.677 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.73 -37.27 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.086 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 57.2 86.96 0.07 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.452 0.644 . . . . 0.0 111.136 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -123.8 100.02 37.86 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.807 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -38.1 -60.7 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.178 3.252 . . . . 0.0 114.569 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.783 ' HG2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.28 -34.89 78.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.592 -174.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.783 HD11 ' HG2' ' A' ' 10' ' ' LYS . 9.2 mp -67.66 -41.38 83.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.718 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.32 -48.83 85.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 61.1 t -66.51 -37.82 80.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.37 -31.21 71.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 111.081 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -81.38 -32.05 33.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 110.176 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.37 66.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 13.0 mmm180 -58.06 -30.8 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.257 0.551 . . . . 0.0 110.371 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.77 -40.83 8.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.765 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.458 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 28.8 m-85 -87.24 10.33 17.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 -177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.9 pp -29.2 -31.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 t -116.56 90.78 3.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.027 0.83 . . . . 0.0 110.153 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.23 -169.98 38.37 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 1' ' ' MET . 41.5 t -124.19 140.23 48.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.61 HD13 ' CD1' ' A' ' 4' ' ' PHE . 9.2 tt -131.8 138.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.782 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.536 ' HB2' HG21 ' A' ' 3' ' ' VAL . 12.6 m95 -109.67 124.51 51.33 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.651 0.739 . . . . 0.0 110.554 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.4 t -108.84 141.81 23.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.268 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 36.8 ttpt -66.08 -35.92 81.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -97.97 1.4 47.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.343 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.532 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 90.5 mt -125.9 -50.54 1.58 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.359 . . . . 0.0 111.522 -177.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.1 -144.16 17.12 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -86.03 137.79 32.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.02 0.41 . . . . 0.0 110.344 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 24' ' ' ILE . 94.8 mt -126.65 110.21 12.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -102.07 118.06 36.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.557 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 11.1 p90 -126.36 158.16 36.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.915 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.597 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 40.5 tt0 -136.45 135.55 38.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.754 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.597 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 59.9 mttm 65.11 17.63 11.13 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.487 0.492 . . . . 0.0 110.985 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.75 21.11 66.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.773 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -124.16 110.73 15.05 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.936 0.874 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -53.89 126.15 21.27 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.987 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 83.3 mt -81.52 154.76 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.457 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 41' ' ' LEU . 2.8 mm? -103.59 103.59 37.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.7 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 88.2 Cg_endo -90.2 131.1 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 176.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -78.26 163.5 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 60.66 80.41 0.21 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.694 0.759 . . . . 0.0 109.803 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 p -143.61 175.35 10.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.496 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.28 139.08 52.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.99 -52.53 8.55 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 123.384 2.723 . . . . 0.0 112.954 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.95 -47.47 86.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.842 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 53' ' ' ILE . 56.0 t -65.15 -47.42 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.195 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -56.09 -56.85 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 0.0 110.767 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.053 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.59 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.2 mt -60.53 -40.85 85.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.903 0.382 . . . . 0.0 110.601 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.23 -41.91 89.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.68 -21.63 41.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.165 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 60' ' ' ILE . 48.1 mt -67.57 -38.25 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.32 -39.32 94.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.041 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.27 -50.54 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.486 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.77 -33.12 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.244 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.7 mt -60.44 -56.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.378 175.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 11.6 tp10 -74.75 -10.13 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.645 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.97 34.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.085 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -81.4 -33.21 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.134 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 4.9 m-20 -67.82 -72.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 170.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.8 t60 58.63 29.06 18.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.673 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.64 -27.26 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.177 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 t -68.28 113.71 6.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.425 0.631 . . . . 0.0 110.439 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -85.33 41.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.87 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.18 34.47 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.7 89.5 7.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.076 0.465 . . . . 0.0 109.836 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.58 165.68 12.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.499 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -78.97 -10.51 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.778 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -112.96 63.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.448 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.7 m80 . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.767 177.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.631 ' HE2' ' HB ' ' A' ' 23' ' ' VAL . 85.3 mtp . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -157.88 143.23 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.413 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.04 133.17 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 m-85 -113.34 108.86 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.537 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 13.2 Cg_exo -71.0 -15.61 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.128 2.552 . . . . 0.0 112.407 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.42 143.79 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.888 0.375 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -92.27 96.1 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.82 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . . . -121.12 102.84 43.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.936 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -37.89 -61.61 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 124.468 3.445 . . . . 0.0 114.438 -174.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.15 -40.2 74.92 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.008 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 75.9 mt -66.11 -34.38 77.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.434 -175.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 80.6 mt -63.35 -52.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG11 HG12 ' A' ' 60' ' ' ILE . 99.5 t -58.27 -46.53 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.441 0.639 . . . . 0.0 110.839 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.0 -28.34 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.652 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.15 -29.61 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.524 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -21.93 66.72 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 110.57 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -54.07 -30.12 46.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.056 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.58 -43.1 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.241 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -97.66 9.81 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.611 -172.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 21' ' ' THR . 2.5 pp -34.99 -21.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -171.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.9 t -116.44 122.01 43.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 119.47 1.032 . . . . 0.0 111.062 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.86 -151.26 22.99 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.158 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.631 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 39.3 t -118.44 128.54 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CG2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 tt -109.84 135.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -113.77 111.62 22.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.02 0.438 . . . . 0.0 110.58 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -110.19 148.1 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 67.0 mttm -72.59 -34.28 67.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.014 0.435 . . . . 0.0 111.205 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.73 -6.78 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.056 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 mt -129.05 -53.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.91 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.95 -150.33 17.15 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -88.61 134.45 33.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.312 0.556 . . . . 0.0 109.783 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 72.4 mt -128.06 147.14 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 110.686 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.84 105.87 16.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -119.49 141.68 48.96 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.887 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -140.71 117.29 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 62.43 28.55 16.87 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.67 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.63 -17.5 58.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.228 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -85.22 131.59 34.4 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.462 0.648 . . . . 0.0 109.709 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.08 -19.21 22.57 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.942 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp 52.95 -169.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.823 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.24 98.37 48.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 165.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.65 87.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.343 2.696 . . . . 0.0 113.065 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.54 -94.84 0.05 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.688 0.618 . . . . 0.0 111.518 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -115.78 105.91 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 p -103.88 153.2 21.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.662 -174.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mm? -64.69 138.85 97.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.707 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.0 -35.46 98.55 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 111.123 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -56.17 -53.7 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.461 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.23 -25.87 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.433 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.28 -41.94 93.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -45.03 93.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.461 -0.791 . . . . 0.0 108.963 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.16 -52.66 61.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.266 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -53.02 -48.65 52.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.673 0.273 . . . . 0.0 111.386 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.42 -38.95 91.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.17 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.71 -38.81 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.217 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.622 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.1 mt -60.48 -49.23 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.297 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD12 ' A' ' 60' ' ' ILE . 10.8 m120 -59.69 -39.21 83.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.832 0.349 . . . . 0.0 110.909 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.91 -46.78 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.345 0.593 . . . . 0.0 109.686 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.71 -41.01 94.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.11 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 56' ' ' LEU . 76.9 mt -55.19 -54.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 42.4 mt-10 -74.52 -19.09 60.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.658 -176.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.62 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.38 -36.43 76.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.137 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.558 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 6.2 m-20 -68.65 -31.21 70.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.043 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 9.0 m-70 -58.28 -67.26 0.37 Allowed 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' HB2' ' O ' ' A' ' 65' ' ' HIS . 5.0 tp-100 167.72 2.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 124.354 1.033 . . . . 0.0 109.88 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 m 59.55 40.32 20.5 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.854 0.835 . . . . 0.0 109.147 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.85 -40.38 24.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.763 -171.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.3 t -63.94 116.76 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.627 0.727 . . . . 0.0 111.865 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.77 -0.97 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.944 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.79 -64.12 1.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.048 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.88 -42.34 60.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -98.31 82.08 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.857 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.273 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 64.5 mtt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.679 0.276 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -156.33 127.72 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 25' ' ' TRP . 49.2 t -101.68 126.95 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.78 0.324 . . . . 0.0 110.344 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.448 ' HE2' HD23 ' A' ' 11' ' ' LEU . 13.0 m-85 -105.67 110.6 64.37 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.58 -1.15 11.32 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.624 2.216 . . . . 0.0 111.601 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.8 152.87 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.26 -83.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.303 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.66 88.87 0.1 Allowed Pre-proline 0 N--CA 1.466 0.374 0 C-N-CA 123.217 0.607 . . . . 0.0 112.209 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -45.67 -56.84 2.52 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.497 2.798 . . . . 0.0 113.971 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG2' HD21 ' A' ' 59' ' ' LEU . 93.5 mttt -71.45 -24.28 61.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.495 -175.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD23 ' HE2' ' A' ' 4' ' ' PHE . 9.5 tt -71.57 -37.79 71.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 79.1 mt -59.66 -57.3 12.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 174.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.505 HG12 HG12 ' A' ' 60' ' ' ILE . 73.8 t -54.6 -43.09 63.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.705 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.46 -35.29 79.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.483 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.34 -24.38 23.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 111.407 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.74 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.119 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.8 ttt-85 -71.76 -10.35 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.38 . . . . 0.0 111.078 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.2 mt -90.66 -46.34 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.687 0.756 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -100.79 11.33 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.195 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -36.5 -19.7 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -117.89 98.89 6.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.437 0.637 . . . . 0.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.3 -141.96 7.71 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.756 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 1' ' ' MET . 41.2 t -130.18 133.58 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.62 0.248 . . . . 0.0 110.43 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 HG22 ' HB2' ' A' ' 32' ' ' LEU . 6.5 tt -112.43 124.83 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.889 0.376 . . . . 0.0 110.06 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.444 ' HB2' HG23 ' A' ' 3' ' ' VAL . 13.7 m95 -99.53 102.19 13.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.232 0.539 . . . . 0.0 110.822 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 142.37 14.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.073 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -77.13 -22.41 52.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -89.4 -15.57 32.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.869 0.366 . . . . 0.0 111.492 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 49' ' ' VAL . 96.2 mt -128.51 -46.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 111.445 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.7 -160.28 22.25 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -79.97 130.71 35.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.317 0.558 . . . . 0.0 110.447 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' HB2' HG22 ' A' ' 24' ' ' ILE . 90.1 mt -117.17 150.57 38.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.629 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -108.44 131.97 54.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.909 0.385 . . . . 0.0 110.358 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.94 143.7 33.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.157 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -136.58 136.5 39.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.692 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HA ' HD11 ' A' ' 20' ' ' LEU . 9.6 ptpp? 47.51 31.95 2.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.905 0.882 . . . . 0.0 112.203 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.569 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 91.17 -7.38 80.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -99.01 107.31 19.7 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.055 0.931 . . . . 0.0 110.839 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 53' ' ' ILE . 39.6 m-85 -60.14 116.99 4.6 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.527 169.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.3 119.58 9.92 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.336 0.398 . . . . 0.0 110.887 -175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 HD21 ' HD2' ' A' ' 42' ' ' PRO . 2.2 tm? -80.26 115.3 53.76 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.583 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.472 ' HG2' ' HB3' ' A' ' 45' ' ' SER . 73.8 Cg_endo -80.87 126.72 5.93 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.71 2.274 . . . . 0.0 111.704 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -64.53 -62.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.698 ' HB2' ' HZ1' ' A' ' 44' ' ' LYS . 4.2 ttmp? -88.24 91.3 8.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.472 ' HB3' ' HG2' ' A' ' 42' ' ' PRO . 15.4 p -131.66 165.14 24.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 -176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.67 142.37 65.92 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.45 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.0 -44.21 43.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.254 2.636 . . . . 0.0 113.215 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -68.77 -25.77 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 111.497 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 29' ' ' LEU . 41.7 t -83.09 -46.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 109.649 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.38 -44.86 92.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.908 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.539 ' HA ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.97 -44.91 95.75 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.441 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -60.84 -51.96 67.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.488 HG22 ' HB3' ' A' ' 39' ' ' PHE . 72.2 mt -62.74 -47.46 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.58 -31.84 71.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.142 -178.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.63 ' N ' HD12 ' A' ' 54' ' ' LEU . 34.4 tt0 -68.35 -40.03 81.64 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.6 mt -62.33 -46.39 88.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.516 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -62.31 -40.36 96.07 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.987 0.422 . . . . 0.0 110.625 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.38 -43.93 89.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.144 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD21 ' HG2' ' A' ' 10' ' ' LYS . 51.8 tp -59.09 -43.08 91.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.877 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.2 mt -59.72 -50.03 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.662 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 65' ' ' HIS . 21.9 mm-40 -76.55 -0.85 24.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.752 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.74 -49.62 7.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -66.02 -54.04 30.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.457 HD22 ' HB ' ' A' ' 67' ' ' THR . 30.5 t30 -71.08 -76.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 9.5 p-80 58.03 -36.32 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.717 1.607 . . . . 0.0 114.875 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.92 0.22 28.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -172.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.457 ' HB ' HD22 ' A' ' 64' ' ' ASN . 13.6 t -72.85 -24.49 60.89 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -91.95 101.91 14.48 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 171.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 71' ' ' LEU . 8.7 m -51.65 -38.58 55.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.653 0.596 . . . . 0.0 112.101 -169.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.55 -4.04 0.79 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.973 0.509 . . . . 0.0 111.888 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 69' ' ' THR . 31.3 tp -76.04 -3.91 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.703 0.763 . . . . 0.0 109.866 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -81.85 7.37 12.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.024 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -85.68 113.43 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.02 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.3 t60 . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HD2' ' A' ' 2' ' ' ARG . 66.1 mtt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HA ' ' NH1' ' A' ' 2' ' ' ARG . 10.9 mmm180 -123.42 136.44 54.62 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.826 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.05 131.76 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.733 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -127.86 106.59 20.4 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.19 -33.28 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 111.041 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -89.43 118.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.262 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -89.53 92.41 9.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.194 0.521 . . . . 0.0 110.047 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.07 98.08 45.08 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -41.88 -53.76 3.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.895 3.063 . . . . 0.0 114.153 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -52.5 -52.0 56.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.845 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.01 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.87 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.46 -52.6 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.019 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG12 HG12 ' A' ' 60' ' ' ILE . 73.2 t -65.45 -41.73 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.556 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.28 -40.79 74.82 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.096 0.475 . . . . 0.0 110.616 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -79.1 -33.75 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.43 -24.18 67.27 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -61.6 -28.85 69.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.06 0.457 . . . . 0.0 110.223 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.4 mt -101.07 -40.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.981 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' THR . 35.8 m-85 -88.51 11.18 17.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.793 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.0 pp -29.16 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.7 t -119.97 96.8 5.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.822 1.192 . . . . 0.0 110.889 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.39 -175.91 45.88 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.558 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 5.4 p -124.23 135.26 64.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.275 0.559 . . . . 0.0 110.879 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.6 tt -119.96 139.81 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.008 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 31' ' ' ARG . 2.5 t-105 -109.56 112.43 24.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.63 149.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.43 -53.61 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.57 -47.6 10.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.887 0.375 . . . . 0.0 111.914 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.05 -31.26 56.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.701 -170.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.06 -153.85 18.64 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 7.5 ptp180 -85.05 138.54 32.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.137 0.469 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.36 130.46 34.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 53.2 mt-10 -101.87 127.07 48.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE2' ' O ' ' A' ' 19' ' ' PHE . 13.9 p90 -113.45 138.24 50.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.896 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 35.3 tt0 -140.43 131.96 27.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.514 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 57.4 mttp 62.81 24.39 14.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.244 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.541 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 80.19 17.9 73.09 Favored Glycine 0 C--O 1.226 -0.371 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.097 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -117.68 140.19 49.99 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.17 3.76 54.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.227 -173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt 56.87 -153.08 0.37 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' HG21 ' A' ' 53' ' ' ILE . 2.1 pp -157.15 148.86 17.19 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 2.7 Cg_exo -73.88 37.73 0.44 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.593 2.862 . . . . 0.0 112.905 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 43' ' ' ARG . 43.2 mtp-105 63.44 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.4 0.68 . . . . 0.0 110.338 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -156.65 128.62 7.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 p -154.14 -164.7 1.91 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.407 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.12 144.59 95.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.558 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.95 -29.98 84.48 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.942 2.428 . . . . 0.0 111.65 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.51 -47.61 66.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.039 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 98.5 t -86.79 -44.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HG2' HD11 ' A' ' 54' ' ' LEU . 35.0 ttpt -59.47 -41.68 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.275 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.82 -40.24 92.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.822 0.344 . . . . 0.0 110.136 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -67.07 -42.77 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.7 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.466 HG21 ' HA ' ' A' ' 41' ' ' LEU . 46.4 mm -62.9 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.0 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD11 ' HG2' ' A' ' 50' ' ' LYS . 8.9 mp -63.54 -39.89 95.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -47.37 85.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.329 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.621 ' O ' HG13 ' A' ' 60' ' ' ILE . 83.9 mt -62.97 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -64.48 -40.04 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.03 -42.0 97.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.293 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.88 -34.05 77.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.891 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 56' ' ' LEU . 88.6 mt -60.53 -56.14 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.46 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.22 -13.22 62.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.254 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.22 -44.77 17.3 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.02 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.41 -27.38 41.79 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -83.81 -2.83 57.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 0.0 110.479 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -88.2 66.9 8.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.606 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -69.55 111.71 5.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.405 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 m -57.15 -33.35 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.439 -171.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.41 8.5 16.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.194 0.521 . . . . 0.0 111.127 -175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -142.67 104.86 4.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.317 0.58 . . . . 0.0 110.724 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.87 1.38 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.931 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.6 tp 62.18 41.17 10.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.071 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.54 -39.05 92.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.446 0.641 . . . . 0.0 109.531 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -102.28 119.43 38.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 m170 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.531 -175.315 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 22.3 tpt180 -152.62 132.24 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 25' ' ' TRP . 46.8 t -118.87 123.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.459 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 24' ' ' ILE . 43.8 m-85 -109.02 110.19 60.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.142 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.57 -21.04 26.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.815 2.343 . . . . 0.0 111.08 174.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.87 129.63 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.238 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.71 101.59 7.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -118.68 105.97 44.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.987 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 -62.63 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.843 3.029 . . . . 0.0 114.093 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.21 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.247 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.97 -39.27 90.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.366 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ALA . 82.7 mt -65.7 -49.61 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.514 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG13 HG12 ' A' ' 60' ' ' ILE . 76.9 t -58.9 -45.75 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.219 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -64.21 -40.13 95.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.427 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -83.81 -20.99 32.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.64 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.201 0.524 . . . . 0.0 110.116 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -62.84 -21.75 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.387 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.53 -47.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.682 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 99.2 m-85 -88.48 9.5 23.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.207 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 35' ' ' GLU . 2.3 pp -37.97 -7.44 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PHE . 3.6 t -130.09 118.22 21.18 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 119.75 1.159 . . . . 0.0 111.027 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.27 -140.98 12.24 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.362 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.72 141.38 46.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.519 HG21 ' HB2' ' A' ' 32' ' ' LEU . 10.5 tt -121.17 122.33 67.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.308 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.521 ' HB2' HG23 ' A' ' 3' ' ' VAL . 11.8 m95 -99.85 113.51 26.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.874 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.39 139.15 21.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -90.49 -18.54 25.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.486 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.02 -48.61 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.43 -144.18 15.46 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -91.61 125.12 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.768 0.284 . . . . 0.0 110.71 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 24' ' ' ILE . 88.3 mt -115.46 123.31 48.26 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 40' ' ' LEU . 8.5 pt-20 -96.94 138.66 34.14 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -150.65 152.1 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.471 . . . . 0.0 111.497 -174.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 34.1 tt0 -143.77 133.29 23.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.265 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.849 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 5.8 mptt 63.84 20.3 12.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.958 0.503 . . . . 0.0 111.246 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.78 -0.88 84.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.234 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -98.24 109.53 22.27 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.983 0.897 . . . . 0.0 110.405 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 40.7 m-85 -58.15 127.47 32.25 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.369 -1.741 . . . . 0.0 111.208 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 9.1 mp -83.87 101.48 11.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.407 0.622 . . . . 0.0 110.089 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.704 HD23 ' HG3' ' A' ' 50' ' ' LYS . 64.0 tp -97.61 121.77 57.2 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.719 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.542 ' HD2' HD11 ' A' ' 41' ' ' LEU . 34.8 Cg_exo -61.59 -171.06 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.261 2.641 . . . . 0.0 112.284 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -58.63 -51.15 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HB2' ' HZ3' ' A' ' 44' ' ' LYS . 4.7 ttmp? -155.82 -60.78 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.671 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m 65.0 -83.87 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.865 -175.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mm? -131.86 132.21 23.1 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 38.7 Cg_exo -58.18 -42.96 51.56 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.869 2.379 . . . . 0.0 112.26 -177.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -61.41 -36.5 80.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.243 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.99 -46.83 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.885 0.374 . . . . 0.0 110.224 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.704 ' HG3' HD23 ' A' ' 41' ' ' LEU . 65.4 tttm -64.19 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.557 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.0 -44.19 97.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.32 83.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 41' ' ' LEU . 63.6 mt -62.94 -39.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.77 -35.21 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 60' ' ' ILE . 89.9 mt -64.54 -44.11 91.85 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.101 173.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.44 -38.4 80.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.865 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.91 -48.85 77.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.003 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.37 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG12 HG13 ' A' ' 13' ' ' VAL . 90.8 mt -57.78 -55.39 21.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.25 -41.02 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.541 0.525 . . . . 0.0 111.013 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.54 -55.62 12.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.525 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -71.82 -19.43 61.98 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.702 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.41 -28.73 37.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -83.07 -66.11 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' NE2' ' HE3' ' A' ' 68' ' ' LYS . 37.2 tt0 -177.83 147.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 t -86.74 -9.36 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.41 . . . . 0.0 110.669 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HE3' ' NE2' ' A' ' 66' ' ' GLN . 51.2 mtmt -94.48 168.5 10.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -72.19 -26.55 62.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.084 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HB3' ' OE1' ' A' ' 66' ' ' GLN . . . 69.35 -73.52 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.972 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -109.05 -168.78 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -175.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -121.08 64.46 0.87 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.849 0.833 . . . . 0.0 108.882 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -60.39 97.01 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.682 172.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.575 -177.124 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.7 mpt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.21 113.33 25.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.878 0.37 . . . . 0.0 110.432 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 47.8 t -87.51 127.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.88 102.34 51.31 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.272 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.64 -10.06 27.94 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.257 2.638 . . . . 0.0 112.165 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.9 130.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -77.62 93.22 4.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.946 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -111.21 91.57 13.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.689 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 1.2 Cg_endo -44.62 -65.28 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 124.22 3.28 . . . . 0.0 114.106 -171.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HA ' HD22 ' A' ' 59' ' ' LEU . 95.1 mttt -67.3 -25.05 65.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.716 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.32 -41.9 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.328 . . . . 0.0 110.217 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 8' ' ' ALA . 87.0 mt -57.28 -48.63 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.524 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.22 -37.46 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -62.73 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -26.11 67.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -58.87 -27.58 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 111.465 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -100.97 -39.62 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.503 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -86.36 8.88 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.386 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -28.83 -38.16 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -172.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.569 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 6.2 t -117.52 95.68 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.826 0.822 . . . . 0.0 110.104 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.25 -164.44 28.56 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.639 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 1' ' ' MET . 38.7 t -124.2 127.2 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.424 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.648 HG22 ' HE2' ' A' ' 39' ' ' PHE . 12.6 tt -117.73 149.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER -130.22 97.17 4.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 109.926 -179.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.6 t -91.75 149.36 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -62.41 -46.41 88.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.114 0.483 . . . . 0.0 111.439 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.62 -3.25 58.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.077 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 49' ' ' VAL . 77.0 mt -118.4 -56.51 2.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 0.0 111.055 -175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' TRP . . . 112.28 -150.39 18.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.617 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -75.9 119.73 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.74 0.305 . . . . 0.0 110.993 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 96.5 mt -125.63 111.98 15.61 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 23' ' ' VAL . 43.6 mt-10 -94.76 105.31 17.24 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -109.03 155.48 20.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.152 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' HG2' ' A' ' 36' ' ' LYS . 10.0 tp10 -143.1 142.73 31.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.842 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 68.7 mmtt 63.3 16.71 9.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.444 0.697 . . . . 0.0 110.84 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.87 4.35 87.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.969 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -114.12 133.45 55.56 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.218 1.008 . . . . 0.0 110.298 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.648 ' HE2' HG22 ' A' ' 24' ' ' ILE . 59.3 m-85 -85.05 126.67 33.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.302 -171.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.54 143.13 35.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.157 177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 42' ' ' PRO . 60.5 tp -98.78 123.54 49.21 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.543 ' HD2' HD11 ' A' ' 41' ' ' LEU . 50.9 Cg_exo -55.93 163.24 6.03 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.892 2.395 . . . . 0.0 111.666 172.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -61.13 98.4 0.08 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.291 -177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 72.13 -51.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.716 0.807 . . . . 0.0 110.426 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 t 67.49 -165.77 0.21 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.347 171.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.81 151.29 39.33 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -43.75 -55.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.838 3.025 . . . . 0.0 114.068 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -65.19 -30.44 71.35 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.354 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.537 ' HA ' HD21 ' A' ' 29' ' ' LEU . 25.5 t -76.69 -46.39 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.63 -43.44 98.84 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.923 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.06 -45.95 86.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.838 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.71 -42.69 97.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.789 -175.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.05 -46.17 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.33 -29.97 66.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.765 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.67 -45.94 87.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.3 mt -61.68 -42.08 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.82 -50.28 68.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.124 0.487 . . . . 0.0 110.292 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.65 -43.24 99.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 10' ' ' LYS . 31.9 tp -61.06 -36.33 79.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.371 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 56' ' ' LEU . 85.9 mt -59.73 -47.33 91.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 65' ' ' HIS . 26.5 mm-40 -71.71 -8.37 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.562 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.38 19.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -85.95 -28.94 23.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.255 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -97.54 5.39 49.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.641 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 3.5 t-80 -85.45 -12.02 52.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.484 -173.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 72.77 -62.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.759 0.662 . . . . 0.0 110.954 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -131.89 147.1 52.45 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -129.95 -42.7 1.24 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.726 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.2 t -150.71 99.6 2.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 110.69 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.77 -49.4 6.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.917 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.39 57.82 0.73 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.15 7.59 5.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.824 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 70.17 -55.68 0.6 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.599 0.759 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 m170 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.495 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.641 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 63.3 ttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -109.39 152.58 25.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -106.07 137.21 37.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HE2' HD21 ' A' ' 11' ' ' LEU . 40.4 m-85 -123.8 95.08 45.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -78.12 -18.36 12.86 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.191 2.594 . . . . 0.0 112.334 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.5 -31.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.367 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 t80 62.67 91.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.477 0.656 . . . . 0.0 110.596 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -119.13 104.55 46.04 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.886 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -45.57 -60.94 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.7 2.933 . . . . 0.0 114.115 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HZ3' HD12 ' A' ' 59' ' ' LEU . 67.3 mttm -63.55 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.139 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.516 HD21 ' HE2' ' A' ' 4' ' ' PHE . 2.3 tt -60.94 -45.6 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.86 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 71.6 mt -65.14 -50.76 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 60' ' ' ILE . 76.9 t -56.86 -46.59 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.499 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -63.99 -38.36 90.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.219 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.4 -28.28 52.66 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.023 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.37 66.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.03 -35.97 74.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.097 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -90.61 -38.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.945 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -82.27 12.32 4.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.583 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 36' ' ' LYS . 12.7 tp -23.94 -43.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.984 1.714 . . . . 0.0 114.95 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 5.1 t -125.01 79.94 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.0 0.905 . . . . 0.0 110.419 170.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.79 -173.37 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.439 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 1' ' ' MET . 26.9 t -125.64 136.78 59.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.454 0.645 . . . . 0.0 111.413 -176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -127.4 124.58 64.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.813 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 31' ' ' ARG . 2.2 t-105 -95.31 110.95 22.89 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 t -102.95 151.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -75.91 -6.29 50.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.0 -45.06 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.566 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.724 HD13 HD13 ' A' ' 32' ' ' LEU . 60.3 mt -112.37 -11.33 13.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.778 0.323 . . . . 0.0 111.573 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -149.92 19.99 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.347 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 13.6 ptt180 -81.73 120.78 25.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.216 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD13 HD13 ' A' ' 29' ' ' LEU . 95.9 mt -111.86 116.82 31.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.07 135.86 38.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 3.6 p90 -132.16 150.34 52.18 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.43 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 29.9 tt0 -135.64 125.35 25.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.889 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 mmmm 55.86 42.48 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.807 177.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 20' ' ' LEU . . . 82.43 -8.3 61.98 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.025 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -96.85 124.11 40.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.436 0.636 . . . . 0.0 110.342 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 12.6 m-85 -74.43 2.42 9.53 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.84 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt 59.29 -158.43 0.31 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.891 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 3.9 pp -149.74 125.24 4.94 Favored Pre-proline 0 N--CA 1.446 -0.662 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 6.8 Cg_exo -72.77 109.3 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.934 2.423 . . . . 0.0 110.918 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -64.53 -26.9 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.908 -172.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.545 ' HB2' ' HZ2' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -90.73 -20.22 22.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.764 0.316 . . . . 0.0 111.793 -176.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 42' ' ' PRO . 47.5 m -156.84 106.41 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.267 -0.271 . . . . 0.0 110.961 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.575 ' H ' ' CD ' ' A' ' 47' ' ' PRO . 3.5 pp -131.85 -22.12 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.803 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.575 ' CD ' ' H ' ' A' ' 46' ' ' LEU . 91.2 Cg_exo -47.51 -40.54 29.71 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.719 1.65 . . . . 0.0 113.217 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -82.58 -38.25 23.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.342 0.591 . . . . 0.0 110.622 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' HA ' HD21 ' A' ' 29' ' ' LEU . 20.8 t -79.01 -41.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.738 -168.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 64.2 tttm -63.36 -24.73 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.119 -177.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.99 -51.04 61.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.037 0.446 . . . . 0.0 109.855 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 29' ' ' LEU . . . -72.05 -36.46 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.624 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 50' ' ' LYS . 29.9 mt -56.67 -42.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.33 -42.91 99.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.65 -49.1 78.87 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.855 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.531 ' O ' HG13 ' A' ' 60' ' ' ILE . 86.5 mt -66.38 -47.45 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.835 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 53' ' ' ILE . 25.2 m-80 -66.73 -35.3 79.78 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -176.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.98 -43.14 99.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.513 0.673 . . . . 0.0 109.205 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.577 HD12 ' HZ3' ' A' ' 10' ' ' LYS . 54.0 tp -63.46 -38.21 90.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.619 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.4 mt -60.58 -58.22 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 14.7 pt-20 -64.95 -25.4 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.36 -47.22 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.428 ' NE2' ' HG ' ' A' ' 59' ' ' LEU . 45.6 mt-30 -74.54 -38.33 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.302 0.572 . . . . 0.0 110.498 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 11.3 t30 -64.21 -20.76 66.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.154 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.57 -57.03 13.69 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 72.56 -41.05 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.821 0.848 . . . . 0.0 113.28 170.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -60.37 99.63 0.08 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.106 0.479 . . . . 0.0 112.128 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 68' ' ' LYS . 8.0 tmtt? -154.09 -52.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 172.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -62.59 -29.19 70.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.817 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.54 121.15 14.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.4 tp -96.31 131.9 42.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 -174.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 55.37 68.46 0.86 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.953 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.61 -36.03 77.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 172.549 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.67 0.271 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.558 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 2.3 mmp_? -141.66 143.05 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.517 176.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 25' ' ' TRP . 57.9 t -128.33 132.6 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.708 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 24' ' ' ILE . 52.1 m-85 -124.96 106.89 28.59 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' PHE . 4.1 Cg_exo -75.49 8.38 2.63 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 123.193 2.596 . . . . 0.0 112.348 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.25 139.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 36.6 t80 -81.4 93.86 6.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.209 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.64 96.25 16.89 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.42 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -45.6 -56.2 2.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.661 2.908 . . . . 0.0 113.969 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -57.95 -40.58 80.9 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.57 -38.7 87.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.458 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 24' ' ' ILE . 91.4 mt -62.14 -52.25 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 177.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG12 HG12 ' A' ' 60' ' ' ILE . 83.5 t -61.15 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.513 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -63.37 -28.15 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.09 -27.88 22.86 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.567 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.67 63.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -50.74 -35.28 30.72 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.524 0.678 . . . . 0.0 110.94 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -101.08 -37.44 5.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' C ' ' H ' ' A' ' 21' ' ' THR . 58.3 m-85 -96.3 10.17 38.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.486 -171.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.614 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 1.7 pp -52.29 5.16 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -171.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 19' ' ' PHE . 9.6 t -136.07 41.14 2.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.765 0.711 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.42 -143.75 4.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.183 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.96 139.78 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 110.694 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 4' ' ' PHE . 11.5 tt -128.24 130.28 69.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.432 ' HB2' HG23 ' A' ' 3' ' ' VAL . 11.4 m0 -104.96 99.34 8.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.648 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.4 t -92.62 141.84 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -67.55 -45.94 74.2 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.906 0.384 . . . . 0.0 111.401 -174.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 7.3 m-20 -80.94 -15.03 57.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.535 -175.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 94.9 mt -107.83 -63.96 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.791 0.329 . . . . 0.0 111.033 -177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.28 -157.34 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.873 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -78.98 112.03 15.77 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.92 127.03 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.763 0.316 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -104.24 135.15 46.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.862 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -137.12 141.17 42.28 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 -177.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.517 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 32.9 tt0 -128.66 121.79 29.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.486 -173.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 32.1 mmmt 60.28 28.32 17.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.813 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.614 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 89.82 -9.35 77.52 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.68 -177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -88.94 114.32 25.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.679 0.752 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.85 120.2 25.35 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.371 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.99 122.06 18.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.966 0.412 . . . . 0.0 110.938 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.725 HD23 ' HD2' ' A' ' 42' ' ' PRO . 3.4 tm? -101.15 114.73 65.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.653 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.725 ' HD2' HD23 ' A' ' 41' ' ' LEU . 29.3 Cg_endo -63.86 116.5 3.72 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.666 2.244 . . . . 0.0 112.016 177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.19 123.68 18.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 62.23 85.22 0.13 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.962 0.789 . . . . 0.0 110.857 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.9 t -145.79 -171.55 3.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.538 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.84 127.55 89.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 26.5 Cg_endo -63.21 -29.17 73.42 Favored 'Trans proline' 0 CA--C 1.521 -0.14 0 C-N-CA 122.929 2.419 . . . . 0.0 112.118 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.41 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.25 -40.28 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 41' ' ' LEU . 63.4 tttp -55.28 -56.02 24.77 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.071 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 2.1 mp0 -67.11 -30.27 70.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.124 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.99 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.685 ' HB ' HD22 ' A' ' 41' ' ' LEU . 67.4 mt -66.14 -35.95 76.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.398 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 73.4 mm-40 -58.78 -39.55 81.38 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.756 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 72.2 mt -63.55 -46.82 84.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.486 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -66.37 -37.76 86.02 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.571 0.7 . . . . 0.0 109.411 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -42.65 90.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.65 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.39 -34.58 78.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.201 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.8 mt -59.92 -45.93 94.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.39 -28.72 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.483 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -78.14 -11.22 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.074 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 3.8 t-20 -74.22 -24.89 59.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.448 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -125.07 77.5 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.732 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -124.92 -173.9 2.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.078 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.8 p -64.6 147.27 53.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.528 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -83.58 111.27 18.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.059 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 m 59.41 88.15 0.07 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.337 0.589 . . . . 0.0 111.53 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.71 -29.25 56.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.698 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.8 53.07 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.9 -26.77 64.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.061 0.458 . . . . 0.0 110.037 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -95.01 131.08 41.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.478 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.0 m170 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.511 -176.23 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -98.48 131.22 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.983 0.421 . . . . 0.0 111.657 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.551 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 35.4 m -86.15 144.17 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.027 173.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -119.9 95.21 49.09 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.348 . . . . 0.0 110.611 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.27 0.09 9.79 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.113 2.542 . . . . 0.0 111.696 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.05 122.46 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.064 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -87.19 97.7 10.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . . . -123.77 103.14 34.48 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.187 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 5.6 Cg_exo -42.54 -68.16 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.1 3.2 . . . . 0.0 113.831 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HG2' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.49 -26.05 66.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.23 -175.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.684 HD23 ' HG2' ' A' ' 10' ' ' LYS . 4.0 mm? -75.18 -53.47 8.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.588 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.62 -50.4 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.729 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 t -62.02 -48.93 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.041 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -70.19 -27.14 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.831 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -78.07 -32.9 50.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 110.553 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -20.22 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.037 0.446 . . . . 0.0 110.536 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.58 -29.79 69.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.148 0.499 . . . . 0.0 110.15 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.64 -43.6 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -81.82 9.51 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.627 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.492 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 4.2 pp -32.77 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 ' N ' HD11 ' A' ' 20' ' ' LEU . 4.4 t -121.07 99.74 6.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.494 0.588 . . . . 0.0 110.373 176.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.73 -159.38 29.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.158 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.2 t -132.39 131.14 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.236 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.0 tt -120.15 131.27 72.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.955 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.551 ' HB2' ' HA ' ' A' ' 3' ' ' VAL . 13.0 m95 -102.11 89.29 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.197 0.523 . . . . 0.0 110.267 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.8 t -76.56 149.0 6.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.365 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 5' ' ' PRO . 6.0 tppp? -68.48 -57.4 5.88 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 0.0 111.194 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.42 -23.31 53.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.489 -173.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 89.5 mt -101.9 -82.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.74 -150.95 22.82 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.046 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 31' ' ' ARG . 43.7 ttp180 -77.23 107.89 9.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 24' ' ' ILE . 96.7 mt -115.69 133.84 55.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.354 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -108.94 136.12 49.0 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -140.94 140.41 34.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -176.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.554 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.3 tt0 -133.63 130.07 37.78 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.296 -175.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.554 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 94.0 mttt 63.44 24.15 14.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.911 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.07 -9.38 76.59 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.5 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -98.51 105.73 17.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.936 0.874 . . . . 0.0 110.289 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 4.8 m-85 -57.74 124.8 20.4 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.103 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.96 94.92 6.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.56 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 pt? -75.51 168.89 23.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.195 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 41' ' ' LEU . 53.2 Cg_exo -57.0 178.23 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.824 2.349 . . . . 0.0 112.574 174.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -56.15 -49.54 73.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.116 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.471 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 14.7 ptmt -119.71 -24.12 6.3 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.3 173.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t 73.27 165.17 0.29 Allowed 'General case' 0 CA--C 1.529 0.169 0 O-C-N 123.821 0.7 . . . . 0.0 111.289 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.93 153.09 49.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.517 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -43.04 -59.22 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.322 2.682 . . . . 0.0 113.611 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -63.75 -42.7 97.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.968 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 53' ' ' ILE . 42.4 t -64.92 -42.34 94.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.825 -176.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.376 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.09 -39.84 83.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -69.8 -43.27 72.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 HG13 ' HB3' ' A' ' 41' ' ' LEU . 44.9 mm -60.66 -48.5 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.637 0.256 . . . . 0.0 110.854 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -39.33 93.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -58.63 -51.57 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.275 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' O ' HG13 ' A' ' 60' ' ' ILE . 74.5 mt -62.55 -44.87 95.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.016 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -40.18 94.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.52 -49.97 71.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.222 0.534 . . . . 0.0 109.736 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 13' ' ' VAL . 29.6 tp -57.58 -34.35 69.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.274 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.1 mt -57.28 -54.83 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 121.035 0.445 . . . . 0.0 109.828 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.63 -31.17 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.149 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.43 85.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.287 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.615 ' HA ' HG22 ' A' ' 67' ' ' THR . 77.8 mt-30 -69.69 -29.12 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.832 0.349 . . . . 0.0 110.823 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.67 -0.84 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.65 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -132.59 -66.08 0.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.833 0.349 . . . . 0.0 111.227 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -55.75 -60.65 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.689 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.615 HG22 ' HA ' ' A' ' 63' ' ' GLN . 10.3 t -102.36 26.95 7.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 110.996 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HZ1' ' HB3' ' A' ' 68' ' ' LYS . 6.9 ttpm? -64.41 -34.37 78.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.183 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.2 p -93.65 137.91 32.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 85.19 3.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -68.53 132.96 47.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.873 -174.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 66.77 21.57 10.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.664 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -82.8 -24.99 33.14 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 124.345 1.058 . . . . 0.0 113.466 173.422 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -143.84 141.79 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.917 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -107.98 141.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.938 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -118.39 105.03 47.01 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.12 1.4 8.97 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.197 2.598 . . . . 0.0 111.379 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -133.58 133.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.303 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.578 ' HH ' ' HB1' ' A' ' 52' ' ' ALA . 88.2 t80 -94.49 96.8 9.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.93 0.395 . . . . 0.0 109.99 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.19 100.54 15.46 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.038 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.16 -59.03 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.689 2.926 . . . . 0.0 113.775 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -62.58 -30.41 71.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.62 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.1 tp -72.89 -48.47 37.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.999 0.428 . . . . 0.0 109.992 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.32 -49.17 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.95 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG23 HD22 ' A' ' 59' ' ' LEU . 74.9 t -58.55 -48.09 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 123.302 0.376 . . . . 0.0 111.433 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -65.13 -38.33 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -76.27 -33.08 59.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.61 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.337 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.44 178.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -93.02 -27.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.561 0.696 . . . . 0.0 110.449 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.06 10.02 41.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.348 -174.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 21' ' ' THR . 3.5 pp -29.5 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -172.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.462 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.4 t -120.01 98.07 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.1 0.864 . . . . 0.0 109.993 170.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.92 33.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.804 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.78 122.94 69.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.619 0.247 . . . . 0.0 110.919 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 tt -118.66 145.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.17 106.94 12.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.798 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 t -95.26 155.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.52 -54.72 31.86 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.898 0.38 . . . . 0.0 111.578 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.73 -45.53 15.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.688 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.24 -27.97 42.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.703 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.5 -155.19 24.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.241 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -75.79 121.1 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.381 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -122.5 140.36 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.008 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -105.45 137.27 43.55 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 1.3 p90 -133.53 142.58 48.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.994 0.426 . . . . 0.0 110.354 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -127.7 121.34 30.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.671 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 64.45 27.35 13.54 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.485 0.49 . . . . 0.0 110.728 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.12 -17.02 58.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.538 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -80.26 104.3 10.72 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.652 0.739 . . . . 0.0 110.33 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 30.0 m-85 -59.35 118.31 5.82 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.612 172.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.45 121.22 38.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.976 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.638 ' HB3' HG13 ' A' ' 53' ' ' ILE . 3.6 pp -76.09 138.69 68.68 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.819 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.775 ' HD2' HG13 ' A' ' 49' ' ' VAL . 59.5 Cg_endo -73.61 168.5 24.61 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.703 2.268 . . . . 0.0 111.724 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -93.82 24.32 4.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.473 0.654 . . . . 0.0 110.201 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.05 130.6 23.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.233 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' C ' ' HD2' ' A' ' 47' ' ' PRO . 54.6 m 68.51 12.33 8.67 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.441 0.639 . . . . 0.0 110.788 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 2.2 pt? -58.57 -28.34 4.54 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -176.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD2' ' C ' ' A' ' 45' ' ' SER . 71.4 Cg_exo -43.83 -40.77 11.58 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 121.489 1.568 . . . . 0.0 113.046 173.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.01 -33.13 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.765 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.775 HG13 ' HD2' ' A' ' 42' ' ' PRO . 95.1 t -68.89 -43.86 82.1 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.27 -175.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' HD23 ' A' ' 41' ' ' LEU . 59.8 tttm -56.68 -46.53 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.798 0.332 . . . . 0.0 110.58 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -60.05 -45.42 92.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.369 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.578 ' HB1' ' HH ' ' A' ' 7' ' ' TYR . . . -68.3 -37.16 80.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.969 0.414 . . . . 0.0 111.241 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 41' ' ' LEU . 28.9 mm -65.87 -40.01 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.438 177.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.27 -35.0 78.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.415 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.28 -50.12 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.9 0.381 . . . . 0.0 110.513 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 60' ' ' ILE . 97.3 mt -61.36 -46.82 88.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -65.16 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.76 -41.01 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 109.542 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD22 HG23 ' A' ' 13' ' ' VAL . 59.1 tp -58.28 -41.72 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.306 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -59.19 -46.41 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.218 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.52 -42.49 92.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.067 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.46 83.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.496 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -73.13 -18.91 61.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 0.0 110.283 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -87.89 -53.25 4.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.53 -177.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.29 -7.48 57.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.339 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 68.1 179.4 0.23 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.801 0.688 . . . . 0.0 110.466 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 p -92.32 3.31 55.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.897 0.379 . . . . 0.0 111.777 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -101.32 124.32 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.419 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.5 p 49.43 40.78 19.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.813 0.696 . . . . 0.0 112.066 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.57 -43.84 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.22 92.44 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.097 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -127.75 35.12 4.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.999 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 72.18 -67.22 0.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.942 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 57.1 m80 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 110.324 -179.027 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.06 116.65 12.13 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.16 136.17 48.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 110.944 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -127.15 103.17 23.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.307 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.44 -5.44 17.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.088 2.526 . . . . 0.0 112.142 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.28 146.36 34.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.327 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -88.21 100.99 13.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 0.0 110.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.77 94.94 30.43 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.44 -62.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.736 2.957 . . . . 0.0 113.939 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HA ' HD22 ' A' ' 59' ' ' LEU . 67.3 mttm -59.41 -38.53 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.07 -50.53 65.81 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.17 -49.24 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 HD23 ' A' ' 59' ' ' LEU . 38.7 t -64.13 -42.51 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.073 -177.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -75.76 -31.44 59.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.29 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.23 -29.88 70.72 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.15 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -10.51 59.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.7 -51.2 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.385 0.612 . . . . 0.0 110.446 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' THR . 75.4 m-85 -93.26 11.82 26.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.597 -173.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 36' ' ' LYS . 1.3 pp -28.69 -28.15 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -172.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.483 ' N ' HD13 ' A' ' 20' ' ' LEU . 6.8 t -116.16 106.86 14.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 119.408 1.003 . . . . 0.0 110.802 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.9 23.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.586 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.69 125.24 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 122.521 0.329 . . . . 0.0 110.277 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' CE1' ' A' ' 34' ' ' PHE . 12.4 tt -119.16 144.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -128.07 106.37 9.02 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 t -102.51 154.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.977 0.418 . . . . 0.0 111.07 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.37 -39.66 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.775 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.99 -14.65 19.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.947 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 -150.86 32.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.068 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -83.81 134.79 34.7 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.8 mt -135.73 124.42 23.8 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.56 101.54 12.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 4.1 p90 -101.12 124.46 46.87 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.4 tt0 -129.34 117.35 20.49 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.573 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 20' ' ' LEU . 44.7 mtmt 62.91 31.63 16.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.283 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 93.36 -4.53 73.71 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.902 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -103.24 121.96 43.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.711 0.767 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.18 13.32 9.72 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.093 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.1 mt 63.59 -173.04 0.16 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.092 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.82 50.3 0.32 Allowed Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.23 -179.88 5.86 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.346 2.03 . . . . 0.0 112.938 -173.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HG2' ' H ' ' A' ' 44' ' ' LYS . 51.2 ttt180 -125.38 -145.01 0.32 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.514 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 93.9 mttt 62.76 25.75 15.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.206 0.527 . . . . 0.0 110.514 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -149.18 -167.46 2.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.635 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -77.5 137.25 63.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.584 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.48 -36.82 81.23 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.013 2.475 . . . . 0.0 112.352 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -35.99 70.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' ILE . 62.2 t -62.91 -47.91 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.93 -37.37 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.366 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.3 -38.35 86.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.961 0.41 . . . . 0.0 110.435 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -65.86 -38.43 88.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.507 177.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 49' ' ' VAL . 82.6 mt -58.3 -45.08 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.303 175.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.84 -48.06 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.646 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.86 -43.49 98.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.584 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 52' ' ' ALA . 60.0 mt -65.29 -47.17 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.502 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.499 HD21 HD13 ' A' ' 60' ' ' ILE . 8.6 m120 -66.73 -32.18 73.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD23 HG22 ' A' ' 13' ' ' VAL . 52.0 tp -57.55 -43.5 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.551 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.499 HD13 HD21 ' A' ' 57' ' ' ASN . 86.7 mt -61.26 -50.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.807 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.62 -31.1 69.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.957 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.99 86.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.361 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.71 -37.91 73.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.649 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.94 -41.13 91.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.248 0.547 . . . . 0.0 110.373 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -90.74 44.91 1.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.617 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.47 -17.45 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -76.02 144.23 40.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.874 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -96.99 -34.28 11.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 110.096 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 p -72.8 104.46 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 73' ' ' HIS . . . -129.6 -23.92 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.953 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp 69.31 -71.35 0.12 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.802 0.689 . . . . 0.0 111.053 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -75.18 -10.3 59.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 7.5 p-80 59.77 -43.12 0.09 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.282 1.833 . . . . 0.0 115.178 174.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 123.395 0.678 . . . . 0.0 111.5 -177.415 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.562 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 27.6 ttt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 24.5 mmt180 -140.45 133.31 29.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.433 HG21 ' HB3' ' A' ' 25' ' ' TRP . 72.1 t -103.24 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.851 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -95.93 116.24 66.09 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.007 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.85 2.09 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.8 2.334 . . . . 0.0 111.754 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.02 152.78 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.103 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -102.66 93.23 4.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.939 0.4 . . . . 0.0 110.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -126.07 92.27 46.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -48.27 -56.26 3.29 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.708 2.939 . . . . 0.0 113.898 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.05 -40.77 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.788 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.66 -45.16 95.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 110.539 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 8' ' ' ALA . 77.2 mt -57.81 -45.08 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG11 ' HG3' ' A' ' 63' ' ' GLN . 75.1 t -62.23 -44.4 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.257 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -66.5 -34.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.148 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -68.49 -41.36 80.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.446 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -29.93 68.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.846 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.923 0.392 . . . . 0.0 111.015 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.0 -39.27 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.089 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.01 11.47 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.884 -172.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 21' ' ' THR . 4.0 pp -29.2 -33.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.471 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -109.91 97.79 7.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 0.0 109.979 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.25 -175.59 44.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.373 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 1' ' ' MET . 60.7 t -124.49 134.97 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 0.0 110.662 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 HG21 ' HB2' ' A' ' 32' ' ' LEU . 9.5 tt -119.02 138.02 51.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' HB3' HG21 ' A' ' 3' ' ' VAL . 2.2 t90 -121.6 107.09 11.98 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.75 148.22 6.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.36 -30.38 67.29 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.033 0.444 . . . . 0.0 110.846 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.48 -58.09 3.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 49' ' ' VAL . 73.8 mt -84.76 -49.84 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.983 -172.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.23 -149.43 16.84 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -86.19 131.6 34.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' HG21 ' A' ' 24' ' ' ILE . 90.2 mt -130.57 114.17 15.14 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.77 119.41 36.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 109.988 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 13.8 p90 -117.87 145.97 44.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -176.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 15.8 tp10 -137.57 134.23 35.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.104 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.501 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 60.4 mttm 64.31 17.53 10.79 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.351 0.407 . . . . 0.0 110.886 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -6.41 83.68 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.017 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -94.73 119.24 33.03 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.016 0.913 . . . . 0.0 110.06 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 16.8 m-85 -74.58 115.25 13.92 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.859 -1.518 . . . . 0.0 111.166 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.28 147.74 43.02 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.977 ' HB2' ' HB2' ' A' ' 45' ' ' SER . 37.1 Cg_exo -58.21 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.693 2.262 . . . . 0.0 111.007 172.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -61.18 -24.62 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.962 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -137.04 96.86 3.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 0.0 109.857 169.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.977 ' HB2' ' HB2' ' A' ' 42' ' ' PRO . 13.8 t -136.64 -161.42 1.16 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.252 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.64 139.66 23.67 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.94 -31.4 73.6 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.374 2.716 . . . . 0.0 113.054 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.88 -44.55 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.71 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HA ' HD21 ' A' ' 29' ' ' LEU . 54.3 t -65.14 -45.97 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.347 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 58.3 mtpt -60.48 -40.85 92.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.39 -47.97 82.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.833 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 49' ' ' VAL . 80.3 mt -63.59 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 79.1 mt -64.7 -37.85 88.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.994 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.91 -42.9 99.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.12 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 60' ' ' ILE . 84.8 mt -64.97 -43.98 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.918 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -40.54 81.36 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.69 -50.79 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.445 0.641 . . . . 0.0 110.001 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 40.4 tp -60.08 -38.9 84.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.121 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.0 mt -57.96 -48.37 84.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.512 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.125 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.61 98.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.487 ' HG3' HG11 ' A' ' 13' ' ' VAL . 17.6 mm-40 -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.103 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.22 -6.04 58.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.996 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -105.5 -45.34 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 59.34 88.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.585 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -82.4 -6.75 59.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.886 0.85 . . . . 0.0 108.953 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -76.07 132.46 40.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.778 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.4 p 56.15 -176.97 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.11 0.964 . . . . 0.0 112.4 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.85 0.29 15.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.058 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 mt 58.47 58.47 3.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -98.73 33.6 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.975 -173.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -138.0 -95.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.513 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 C--N 1.33 -0.263 0 C-N-CA 120.164 -0.615 . . . . 0.0 111.77 -178.33 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -137.04 144.21 43.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.932 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 25' ' ' TRP . 53.9 t -106.44 132.37 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.802 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.46 107.03 43.64 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.001 0.429 . . . . 0.0 111.057 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.73 -6.64 17.05 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.029 2.486 . . . . 0.0 111.099 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.68 134.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.894 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -92.83 98.43 11.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.697 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -116.57 94.88 44.59 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.093 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 2.4 Cg_endo -46.72 -62.31 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.826 3.017 . . . . 0.0 113.488 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HA ' HD22 ' A' ' 59' ' ' LEU . 23.6 mmmt -53.92 -45.43 71.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.416 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -67.48 -47.61 69.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.69 -52.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 60' ' ' ILE . 98.9 t -66.04 -36.86 78.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.343 -178.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.05 -46.82 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.388 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.745 -176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.29 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 6.4 tmm_? -65.72 -23.41 66.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -98.38 -35.78 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.486 0.66 . . . . 0.0 110.43 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.3 m-85 -93.51 12.18 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.227 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -29.31 -22.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.455 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.7 t -111.89 100.64 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 119.188 0.903 . . . . 0.0 110.325 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.4 -166.15 39.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 t -127.64 140.4 49.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.63 0.252 . . . . 0.0 110.343 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 tt -125.29 127.63 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.889 0.376 . . . . 0.0 110.146 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.446 ' HB2' HG23 ' A' ' 3' ' ' VAL . 14.5 m95 -99.67 88.03 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.101 0.477 . . . . 0.0 110.953 -176.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.24 147.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -41.04 69.69 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -171.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -73.79 -46.56 44.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.44 -29.65 17.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.488 -175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.39 -154.24 18.98 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.796 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -72.15 120.57 17.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.747 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.2 mt -115.41 114.15 24.7 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.63 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -93.5 139.22 30.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.116 0.484 . . . . 0.0 109.832 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.74 147.87 38.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.4 tt0 -144.51 144.88 31.56 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 176.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 22.8 mttp 66.15 16.57 10.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.575 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.65 5.14 89.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.813 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -115.46 111.92 21.5 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 122.311 1.053 . . . . 0.0 110.607 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.05 133.26 43.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.022 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -77.76 107.87 10.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.598 -177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -80.83 115.52 56.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.117 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.28 91.41 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.632 2.221 . . . . 0.0 112.802 -177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 64.51 -85.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.65 -10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.297 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . 11.2 t 62.53 -175.67 0.14 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.64 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.51 152.59 38.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.06 -59.86 0.73 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.568 2.845 . . . . 0.0 113.96 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -59.85 -49.54 77.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.387 0.613 . . . . 0.0 110.846 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.27 -46.7 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.907 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 45' ' ' SER . 87.0 tttt -64.89 -41.86 95.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -59.63 -47.85 83.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.704 0.288 . . . . 0.0 110.871 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -62.01 -50.51 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.49 -42.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.988 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.71 92.54 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.055 0.455 . . . . 0.0 110.603 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.32 -33.27 71.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.295 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.6 mt -66.19 -43.24 87.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 174.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.527 HD21 HD11 ' A' ' 60' ' ' ILE . 14.3 m120 -58.17 -39.69 79.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.89 -43.22 85.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.888 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 10' ' ' LYS . 47.8 tp -67.12 -36.79 82.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.852 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 56' ' ' LEU . 74.5 mt -63.42 -49.09 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 110.539 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -68.09 -23.7 64.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.78 76.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.112 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.37 -31.41 65.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -70.58 -24.36 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.218 0.532 . . . . 0.0 110.255 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.833 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -79.83 97.2 6.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.108 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.5 m -80.76 99.98 8.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.795 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -76.06 -83.43 0.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -174.33 173.26 3.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.192 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.53 175.94 10.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.179 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.2 tp -71.73 99.0 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.128 0.489 . . . . 0.0 110.694 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -106.86 16.96 23.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.663 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.71 149.96 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.532 -177.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.3 p80 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.939 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 ttm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.709 0.29 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -95.0 129.87 41.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.76 119.33 57.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -116.82 109.1 43.57 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.85 -21.8 18.25 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.618 2.212 . . . . 0.0 111.759 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 m -104.68 130.48 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.945 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.41 97.65 10.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.457 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.28 96.47 28.02 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.98 -53.74 6.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.711 2.941 . . . . 0.0 113.293 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' HD22 ' A' ' 59' ' ' LEU . 4.1 tppp? -50.35 -53.42 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.6 . . . . 0.0 111.494 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.11 -53.93 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.733 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG11 HG12 ' A' ' 60' ' ' ILE . 94.0 t -66.84 -37.66 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.24 -36.38 79.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -90.5 -13.06 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.81 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.38 64.14 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -64.04 -21.04 66.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.789 0.328 . . . . 0.0 111.636 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.98 -44.79 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.059 0.457 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.85 10.55 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 21' ' ' THR . 3.2 pp -32.96 -29.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.519 ' N ' HD12 ' A' ' 20' ' ' LEU . 1.8 t -114.37 106.27 14.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.078 0.399 . . . . 0.0 109.983 172.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.29 -150.1 15.55 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.748 -1.215 . . . . 0.0 113.136 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.68 135.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.377 0.608 . . . . 0.0 110.932 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.2 tt -123.38 140.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.901 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -114.8 111.59 21.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.19 152.88 5.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -72.01 -52.28 17.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.71 -48.67 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.28 -58.69 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.6 -152.05 20.14 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -87.18 128.27 35.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 24' ' ' ILE . 87.7 mt -117.65 144.02 45.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.42 . . . . 0.0 110.853 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -118.63 129.73 55.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.711 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -144.47 144.39 31.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 111.527 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 41.4 tt0 -134.2 136.9 44.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.134 175.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 97.8 mttt 65.56 20.45 11.65 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.16 0.505 . . . . 0.0 110.21 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.74 -14.34 58.63 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.199 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -94.14 123.71 37.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.155 0.979 . . . . 0.0 110.812 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -74.75 130.78 40.09 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.53 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.73 156.73 20.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.353 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.5 tp -131.69 110.77 14.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.639 0.256 . . . . 0.0 111.071 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.84 173.74 2.09 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.834 2.356 . . . . 0.0 111.923 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -44.39 -64.95 0.58 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -114.36 -48.65 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.701 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m 61.17 -163.97 0.25 Allowed 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.699 0.624 . . . . 0.0 110.797 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.43 142.02 24.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -47.98 -53.25 6.91 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.172 2.581 . . . . 0.0 113.185 -176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -60.75 -37.47 81.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.17 -44.51 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.689 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 85.5 tttt -60.57 -45.97 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.99 -45.08 94.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.765 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.15 -46.0 89.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.53 -40.13 83.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.662 0.268 . . . . 0.0 110.943 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.8 mt -65.47 -44.2 87.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -35.95 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 60' ' ' ILE . 56.8 mt -64.19 -45.69 87.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.538 ' HA ' HD13 ' A' ' 60' ' ' ILE . 16.2 m-80 -59.91 -32.85 71.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.19 -52.89 61.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.734 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 10' ' ' LYS . 43.3 tp -59.13 -39.14 81.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.766 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.2 mt -59.15 -54.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.25 -27.65 66.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.891 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.62 -27.18 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 111.371 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -87.63 -17.0 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.867 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.21 -48.67 9.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.391 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.99 76.22 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.576 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.58 144.33 21.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -75.97 63.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.526 0.679 . . . . 0.0 111.246 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -131.44 88.89 2.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.507 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 m -92.79 88.18 6.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.038 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.48 166.5 30.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.207 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.96 169.82 15.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.047 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.09 55.01 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.208 1.004 . . . . 0.0 108.843 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 69.7 m80 70.01 37.35 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.696 -1.593 . . . . 0.0 110.442 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.909 -179.188 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.6 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 64.3 mtm . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HB3' HG12 ' A' ' 24' ' ' ILE . 6.0 tpp180 -132.03 122.96 26.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.6 175.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.524 HG23 ' HB2' ' A' ' 25' ' ' TRP . 59.2 t -103.81 128.71 56.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.965 0.412 . . . . 0.0 111.623 -176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -111.78 120.94 41.09 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.17 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.53 -25.62 47.69 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.988 2.458 . . . . 0.0 112.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -128.48 147.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -63.03 97.48 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -120.31 82.81 31.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.94 -54.57 4.86 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.803 3.002 . . . . 0.0 112.877 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -50.28 -47.91 55.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.405 -1.27 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 8' ' ' ALA . 8.4 mp -66.71 -45.01 80.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -178.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.4 mt -58.35 -52.43 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.938 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG13 HG12 ' A' ' 60' ' ' ILE . 77.1 t -61.0 -45.33 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.207 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.25 -27.33 65.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.188 -174.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -87.04 -24.86 24.47 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.206 -0.309 . . . . 0.0 110.824 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.62 -22.4 65.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 111.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -56.2 -38.18 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 110.738 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.12 -34.82 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 77.7 m-85 -89.0 9.59 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.799 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 21' ' ' THR . 3.1 pp -32.39 -27.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.492 ' N ' HD11 ' A' ' 20' ' ' LEU . 2.1 t -113.1 101.26 9.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.454 0.57 . . . . 0.0 110.359 175.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.24 -165.71 38.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.844 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.6 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 14.8 t -132.8 135.56 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.611 HG12 ' HB3' ' A' ' 2' ' ' ARG . 14.0 mt -118.36 126.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.524 ' HB2' HG23 ' A' ' 3' ' ' VAL . 15.1 m95 -104.03 113.23 26.62 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.379 0.609 . . . . 0.0 111.132 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -105.09 146.51 12.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.0 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -70.85 -38.89 73.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.313 0.578 . . . . 0.0 110.433 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.6 -25.48 63.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.075 -175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 49' ' ' VAL . 89.2 mt -118.45 -68.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 111.339 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.7 -136.22 6.32 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptp85 -79.2 130.2 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.65 90.56 3.36 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HG3' HG21 ' A' ' 23' ' ' VAL . 31.5 tt0 -91.35 135.97 33.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.547 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 12.8 p90 -146.76 150.78 36.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.15 0.5 . . . . 0.0 111.034 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -141.19 131.91 25.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.331 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 63.31 19.84 11.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.31 0.381 . . . . 0.0 111.164 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.51 -8.94 76.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.7 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -96.08 117.66 31.13 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-O 121.49 0.662 . . . . 0.0 110.413 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 23.8 m-85 -58.19 121.85 11.73 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.344 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' HG2' ' A' ' 33' ' ' GLU . 85.0 mt -79.12 103.2 8.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.011 0.434 . . . . 0.0 110.517 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD22 ' HZ2' ' A' ' 50' ' ' LYS . 40.0 tp -107.33 98.89 24.9 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.626 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 2.9 Cg_exo -75.06 -174.56 1.99 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.303 2.668 . . . . 0.0 112.218 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -67.84 -34.95 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.169 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -89.54 114.38 25.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.042 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 p -160.77 126.78 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.0 134.2 91.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.521 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.81 -42.23 24.72 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.361 2.707 . . . . 0.0 113.316 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.29 -48.29 80.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.491 ' HA ' HD21 ' A' ' 29' ' ' LEU . 44.8 t -76.47 -40.99 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.285 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HZ2' HD22 ' A' ' 41' ' ' LEU . 61.6 tttp -57.29 -47.7 80.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.573 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.9 -39.67 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.718 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -64.69 -40.43 95.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 49' ' ' VAL . 76.0 mt -64.25 -32.86 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.66 -45.37 90.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.035 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.33 -41.05 92.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.2 mt -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.03 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' HA ' HD13 ' A' ' 60' ' ' ILE . 21.7 m-80 -63.2 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.09 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.224 0.535 . . . . 0.0 109.842 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 HG22 ' A' ' 13' ' ' VAL . 42.7 tp -57.88 -40.12 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.451 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 56' ' ' LEU . 81.8 mt -57.24 -53.15 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.15 -46.28 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.83 71.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -82.05 -18.84 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -99.98 5.4 45.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.237 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -2.46 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 0.84 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 68' ' ' LYS . 1.2 m -102.22 -10.82 19.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.286 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HB3' ' HZ3' ' A' ' 68' ' ' LYS . 7.6 ttpm? 67.64 104.76 0.05 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.067 -171.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 p -58.81 -35.65 73.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.589 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 37.77 27.27 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.376 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 ' O ' HD21 ' A' ' 71' ' ' LEU . 6.8 tt -70.56 -32.95 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -67.66 -20.11 65.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.307 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -78.59 96.49 5.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.636 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.2 176.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.627 0.251 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 25' ' ' TRP . 33.9 m -86.36 151.74 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 111.005 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 52.8 m-85 -132.16 103.38 14.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.35 -12.6 32.05 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.083 2.522 . . . . 0.0 112.249 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.17 157.86 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -80.56 -85.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . 53.17 81.05 0.27 Allowed Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 123.447 0.467 . . . . 0.0 111.943 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.58 -54.7 5.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.338 2.692 . . . . 0.0 113.538 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HG3' HD12 ' A' ' 11' ' ' LEU . 15.7 ptpt -65.44 -28.73 69.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.398 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' HG3' ' A' ' 10' ' ' LYS . 10.6 mp -72.62 -36.92 68.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.9 -54.12 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.499 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 60' ' ' ILE . 87.2 t -62.17 -44.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.224 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.96 -38.55 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 110.913 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -85.71 -20.42 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.27 63.99 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.547 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -58.71 -29.68 66.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.4 mt -100.14 -30.43 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.851 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -100.25 10.5 41.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.613 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD13 ' HA ' ' A' ' 36' ' ' LYS . 3.6 pp -29.3 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.61 ' N ' HD12 ' A' ' 20' ' ' LEU . 15.3 t -112.54 112.78 24.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.597 0.713 . . . . 0.0 110.456 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.62 -142.21 7.97 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.049 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.79 139.59 11.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 120.696 0.284 . . . . 0.0 110.436 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 34' ' ' PHE . 27.4 pt -120.23 152.6 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.651 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.542 ' HB2' HG12 ' A' ' 3' ' ' VAL . 17.0 m95 -120.48 79.49 1.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.768 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 3.7 t -72.6 142.38 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -11.56 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.3 t70 -94.54 -37.99 11.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' HA ' ' A' ' 49' ' ' VAL . 84.8 mt -103.8 -55.22 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.17 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 -143.16 14.65 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.028 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -79.29 113.57 17.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD11 HD12 ' A' ' 29' ' ' LEU . 89.8 mt -120.63 116.73 25.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.9 143.82 27.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.096 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -149.27 136.59 20.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' HG3' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -125.25 112.63 16.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.345 -175.067 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.714 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.9 mtmp? 55.15 48.23 20.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.754 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.41 -34.1 5.68 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.159 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -86.51 108.6 18.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 122.051 0.929 . . . . 0.0 111.659 -175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 28.9 m-85 -61.69 123.46 18.01 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 113.439 -1.709 . . . . 0.0 110.468 172.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.27 -174.315 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 CA--C 1.526 0.105 0 N-CA-C 112.518 0.161 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -50.54 -50.32 53.65 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.5 t -74.22 -43.64 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.936 -176.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 54' ' ' LEU . 60.9 tttm -61.8 -48.09 82.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.954 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.27 -35.25 77.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.615 0.245 . . . . 0.0 110.849 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.87 -47.09 87.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.25 -36.49 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 50' ' ' LYS . 8.2 mp -64.31 -45.83 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -69.27 -28.11 66.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' O ' HG13 ' A' ' 60' ' ' ILE . 69.0 mt -65.82 -44.75 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 27.9 m-80 -65.42 -32.88 74.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 110.713 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.34 -49.36 77.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.54 0.686 . . . . 0.0 109.722 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 10' ' ' LYS . 41.9 tp -60.9 -38.36 85.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.651 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -56.68 -49.09 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.579 176.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.63 -18.24 63.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.033 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.94 28.89 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.782 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -75.49 -36.44 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.467 . . . . 0.0 110.507 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.205 176.347 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 7.5 tpm_? . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.99 142.92 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.9 m-85 -130.7 111.89 16.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' PHE . 20.6 Cg_exo -66.47 -22.38 51.94 Favored 'Trans proline' 0 C--N 1.34 0.101 0 C-N-CA 122.844 2.363 . . . . 0.0 111.727 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 t -125.09 139.67 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.611 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -83.15 80.44 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.533 0.683 . . . . 0.0 109.994 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -106.9 101.15 35.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.092 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -40.91 -57.96 1.17 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.09 3.194 . . . . 0.0 114.415 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' HB1' ' A' ' 8' ' ' ALA . 10.0 mp -63.99 -40.27 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.0 110.327 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.83 -54.47 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG13 HG12 ' A' ' 60' ' ' ILE . 98.8 t -61.96 -41.49 91.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.588 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -57.15 -41.0 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -84.9 -28.7 25.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.21 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.722 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -67.02 -23.97 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.456 . . . . 0.0 110.693 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -95.03 -43.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.202 0.525 . . . . 0.0 110.392 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -93.35 10.39 32.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.537 -175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -32.03 -26.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.547 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.8 t -116.09 116.38 27.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.737 0.699 . . . . 0.0 110.743 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.08 -148.9 20.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG12 ' HG2' ' A' ' 33' ' ' GLU . 34.2 m -125.07 152.09 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.824 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 34' ' ' PHE . 10.8 tt -131.53 143.87 39.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.679 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 31' ' ' ARG . 2.1 t90 -130.24 107.72 9.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.2 143.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.42 -39.95 81.39 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.866 0.365 . . . . 0.0 110.964 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.24 -35.36 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.842 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.92 -76.68 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.076 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.18 -157.14 27.82 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' ' CE3' ' A' ' 25' ' ' TRP . 25.3 ttm180 -86.07 125.11 33.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.613 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' HG23 ' A' ' 24' ' ' ILE . 44.4 mt -126.23 171.12 11.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' HG2' HG12 ' A' ' 23' ' ' VAL . 40.4 mt-10 -123.97 170.87 10.19 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -164.07 147.11 9.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.62 0.724 . . . . 0.0 112.222 172.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.516 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 10.4 tp10 -136.14 139.29 42.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 169.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 41.1 mtmt 64.09 11.94 6.6 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.48 0.488 . . . . 0.0 111.018 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.464 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 62.62 38.04 95.75 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.092 -174.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 -110.48 -2.67 16.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.614 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 19.4 m-85 67.69 127.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.079 0.942 . . . . 0.0 113.354 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 73.0 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.234 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.1 Cg_exo . . . . . 0 N--CA 1.464 -0.237 0 CA-C-O 120.516 0.132 . . . . 0.0 112.412 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -62.75 -32.61 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.489 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 53' ' ' ILE . 84.7 t -82.91 -35.76 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.905 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -66.35 -33.3 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.102 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 47' ' ' PRO . 29.3 mm-40 -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.925 0.393 . . . . 0.0 110.343 174.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -66.0 -39.53 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.368 177.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 49' ' ' VAL . 79.1 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.53 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.45 -36.67 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -44.5 96.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.1 mt -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.617 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.22 -44.74 84.02 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 58' ' ' GLU . 18.9 tp10 -61.45 -47.9 83.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.991 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 58.8 tp -54.61 -42.28 70.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.887 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 56' ' ' LEU . 79.9 mt -57.63 -56.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.19 -30.18 69.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.665 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.43 63.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 111.016 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 25.4 mt-30 -94.43 -35.46 12.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 N--CA 1.463 0.193 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 176.212 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 2' ' ' ARG . 9.0 mmm180 . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.65 130.41 73.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.758 0.314 . . . . 0.0 110.297 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -125.96 111.07 24.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.295 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 73.8 Cg_endo -75.52 1.09 8.37 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.963 2.442 . . . . 0.0 112.763 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.17 140.43 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.206 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 48.5 t80 -83.14 92.73 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.124 0.487 . . . . 0.0 110.015 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.08 90.11 51.53 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -42.94 -51.09 5.71 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.683 2.922 . . . . 0.0 112.87 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -49.02 -57.11 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.447 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.45 -40.77 96.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.113 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.63 -56.2 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 60' ' ' ILE . 95.4 t -65.05 -34.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.32 -43.91 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 110.865 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -84.1 -27.57 28.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.172 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.45 -25.6 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.639 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -64.46 -23.8 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.089 0.471 . . . . 0.0 110.692 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -100.24 -46.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.186 0.517 . . . . 0.0 110.515 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.1 10.04 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.869 -176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -31.77 -27.39 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -174.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' HD12 ' A' ' 20' ' ' LEU . 6.3 t -115.88 97.37 6.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 119.245 0.93 . . . . 0.0 110.378 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.2 -167.5 36.76 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 33' ' ' GLU . 26.3 t -123.06 136.67 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 39' ' ' PHE . 11.2 tt -121.78 141.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -120.63 100.03 6.89 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 t -90.41 147.36 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 12.5 tppt? -76.29 -31.18 58.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 3.9 m-20 -91.89 5.33 50.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.393 -177.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 96.3 mt -139.13 -61.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.238 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.6 -153.79 20.61 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -84.07 130.61 34.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.089 0.471 . . . . 0.0 110.886 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -134.32 136.2 43.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.815 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 23' ' ' VAL . 39.1 mt-10 -108.76 135.62 49.67 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 14.4 p90 -134.38 152.47 51.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 111.612 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.39 136.29 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.603 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.14 17.49 11.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.954 0.406 . . . . 0.0 110.46 -175.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.55 -17.45 52.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.759 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -90.96 116.54 28.85 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.355 1.074 . . . . 0.0 110.673 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.673 ' HE2' HG21 ' A' ' 24' ' ' ILE . 83.7 m-85 -56.25 125.69 22.92 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.442 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -176.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo . . . . . 0 CA--C 1.53 0.315 0 N-CA-C 113.44 0.516 . . . . 0.0 113.44 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.38 -32.83 73.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HA ' HD22 ' A' ' 29' ' ' LEU . 63.7 t -69.48 -41.49 80.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -60.04 -47.14 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.712 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 7.5 tp60 -58.84 -45.74 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.323 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -57.12 -52.3 65.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 39' ' ' PHE . 74.1 mt -56.95 -44.68 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.133 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.468 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 42.3 mt-10 -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 85.6 mt -64.62 -44.96 88.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.0 m-20 -61.99 -34.84 76.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.81 -51.46 69.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -61.26 -38.12 85.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.922 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 94.0 mt -58.34 -55.24 23.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.669 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 34.6 tt0 -67.66 -30.58 70.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -176.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.64 83.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.225 0.536 . . . . 0.0 110.511 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -82.09 -32.07 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.398 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.624 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 26.3 t-20 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.76 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 24' ' ' ILE . 42.6 ttm180 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.622 HG12 ' HB2' ' A' ' 25' ' ' TRP . 20.1 m -88.63 141.93 13.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -124.32 105.76 30.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.688 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 14.9 Cg_exo -69.6 -22.07 33.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.747 2.298 . . . . 0.0 111.431 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.52 154.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.253 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -100.85 103.8 15.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -115.76 97.03 48.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.27 -63.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.448 2.766 . . . . 0.0 113.534 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.06 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.723 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.92 -43.25 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 8' ' ' ALA . 81.5 mt -60.19 -52.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.658 0.266 . . . . 0.0 110.644 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.44 HG13 HG12 ' A' ' 60' ' ' ILE . 66.3 t -63.1 -41.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.24 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.08 -29.77 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.182 0.515 . . . . 0.0 111.133 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -91.57 -9.74 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.44 -11.84 44.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.399 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -57.13 -43.4 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.769 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.4 mt -94.66 -30.46 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.423 0.63 . . . . 0.0 110.982 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.08 12.1 35.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.072 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 21' ' ' THR . 1.9 pp -35.67 -17.68 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.455 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.0 t -112.18 100.16 8.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.08 0.854 . . . . 0.0 110.347 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.74 -165.82 38.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.401 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 33' ' ' GLU . 19.9 m -129.5 146.73 33.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.971 0.415 . . . . 0.0 111.295 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 2' ' ' ARG . 23.8 mt -131.62 133.88 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.248 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.622 ' HB2' HG12 ' A' ' 3' ' ' VAL . 11.7 m95 -110.11 94.94 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.71 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 28' ' ' ASP . 5.2 t -86.6 150.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 5' ' ' PRO . 72.4 mmtt -68.55 -24.5 64.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 14.7 t70 -86.11 -51.6 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.086 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.718 HD12 HD11 ' A' ' 32' ' ' LEU . 89.7 mt -90.58 -16.75 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.055 -173.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -80.94 1.21 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.716 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -140.52 124.12 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 29' ' ' LEU . 92.7 mt -117.62 130.89 56.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 23' ' ' VAL . 34.4 mt-10 -114.46 129.36 56.65 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 27.7 p90 -140.34 143.56 35.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.13 0.49 . . . . 0.0 111.462 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -132.68 127.42 34.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.586 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 66.84 23.48 10.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.676 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 99.24 -23.2 37.28 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.442 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -85.25 102.84 13.68 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 111.043 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 50.3 m-85 -55.07 123.4 13.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.791 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -177.839 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 N--CA 1.474 0.36 0 N-CA-C 113.652 0.597 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -58.74 -41.89 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 0.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 HD22 ' A' ' 29' ' ' LEU . 99.3 t -66.51 -43.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.292 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 57.2 mtpt -58.05 -44.86 87.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.356 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -55.82 -43.66 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.905 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.98 -38.81 83.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 49' ' ' VAL . 43.3 mm -60.88 -48.05 90.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.273 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 78.2 mt -60.54 -40.02 90.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.057 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.67 -43.13 99.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.632 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.8 mt -64.29 -46.68 82.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.714 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -58.74 -41.67 87.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.712 0.291 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.4 -51.97 67.58 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.726 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 53.1 tp -58.08 -45.03 87.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.484 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -57.06 -52.95 49.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 110.582 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.15 -25.2 66.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.758 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.29 -22.61 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.437 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 19.0 mt-30 -76.12 -41.22 50.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.01 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.969 174.298 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.54 126.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.15 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.5 114.13 57.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.01 0.433 . . . . 0.0 111.501 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 5.5 Cg_exo -78.57 -2.12 12.2 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.045 2.497 . . . . 0.0 111.769 175.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.28 127.81 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -87.5 103.09 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.11 104.46 13.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -44.51 -58.66 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.917 3.078 . . . . 0.0 114.09 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.09 -39.37 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.724 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.66 -37.86 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.56 -52.02 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 HG12 ' A' ' 60' ' ' ILE . 87.1 t -62.65 -44.07 99.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.561 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -62.38 -36.97 83.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.257 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -79.45 -29.57 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.736 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.7 68.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.312 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -26.82 68.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.9 mt -101.21 -37.38 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -90.64 8.48 34.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.412 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -29.93 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -175.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.568 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.2 t -111.41 94.09 4.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.553 0.692 . . . . 0.0 110.195 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.1 -153.77 14.44 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.69 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.96 136.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 32' ' ' LEU . 5.6 tt -120.65 120.05 61.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 109.749 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -99.98 113.57 26.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.151 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -109.33 145.78 15.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 44.0 mtmt -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.647 -174.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.13 0.52 55.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.171 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.62 -59.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.951 0.405 . . . . 0.0 110.746 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.25 -156.33 22.33 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -88.15 116.55 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.22 0.534 . . . . 0.0 110.098 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -103.51 105.39 15.62 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.14 130.26 35.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.808 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.08 135.62 29.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.118 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 23.8 tt0 -125.88 127.36 45.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.757 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.544 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 55.3 mttp 63.4 21.93 13.02 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.408 0.442 . . . . 0.0 110.399 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.35 -14.58 62.12 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.134 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 102.62 14.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.724 0.773 . . . . 0.0 109.744 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.62 120.59 5.85 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.877 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.702 0.763 . . . . 0.0 110.545 -176.408 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 114.264 0.832 . . . . 0.0 114.264 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 88.3 tttt -72.41 -35.89 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.128 0.49 . . . . 0.0 110.992 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' ILE . 59.9 t -68.78 -37.17 77.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.127 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 34.9 ttpt -55.03 -54.03 48.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.474 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 1.7 pp0? -66.08 -25.57 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.602 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -72.94 -43.64 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 49' ' ' VAL . 93.4 mt -61.74 -44.71 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.343 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 97.7 mt -58.58 -44.64 89.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.58 -41.62 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.364 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.1 mt -63.34 -45.97 88.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.0 m-20 -58.69 -39.93 82.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.33 -45.87 82.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.044 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.35 -35.12 76.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.841 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.7 mt -57.1 -53.86 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -40.97 96.22 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.313 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.82 -43.85 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.523 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.99 -35.03 50.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 111.512 -176.3 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 20.0 mmt180 . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 25' ' ' TRP . 48.6 t -126.66 127.07 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.582 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 24' ' ' ILE . 55.6 m-85 -120.73 98.52 47.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 111.077 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 12.7 Cg_exo -71.26 -32.78 12.29 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.7 2.267 . . . . 0.0 111.677 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.73 -37.27 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.086 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 57.2 86.96 0.07 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.452 0.644 . . . . 0.0 111.136 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -123.8 100.02 37.86 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.807 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -38.1 -60.7 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.178 3.252 . . . . 0.0 114.569 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.796 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.28 -34.89 78.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.592 -174.7 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.796 HD12 ' HG2' ' A' ' 10' ' ' LYS . 9.2 mp -67.66 -41.38 83.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.718 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.32 -48.83 85.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 61.1 t -66.51 -37.82 80.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.37 -31.21 71.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 111.081 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -81.38 -32.05 33.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 110.176 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.37 66.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 13.0 mmm180 -58.06 -30.8 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.257 0.551 . . . . 0.0 110.371 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.77 -40.83 8.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.765 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 28.8 m-85 -87.24 10.33 17.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 -177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.506 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.9 pp -29.2 -31.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 t -116.56 90.78 3.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.027 0.83 . . . . 0.0 110.153 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.23 -169.98 38.37 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -124.19 140.23 48.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 4' ' ' PHE . 9.2 tt -131.8 138.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.782 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.558 ' HB2' HG22 ' A' ' 3' ' ' VAL . 12.6 m95 -109.67 124.51 51.33 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.651 0.739 . . . . 0.0 110.554 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.555 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.4 t -108.84 141.81 23.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.268 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 36.8 ttpt -66.08 -35.92 81.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -97.97 1.4 47.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.343 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 90.5 mt -125.9 -50.54 1.58 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.359 . . . . 0.0 111.522 -177.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.1 -144.16 17.12 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -86.03 137.79 32.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.02 0.41 . . . . 0.0 110.344 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 24' ' ' ILE . 94.8 mt -126.65 110.21 12.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -102.07 118.06 36.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.557 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 11.1 p90 -126.36 158.16 36.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.915 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.625 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 40.5 tt0 -136.45 135.55 38.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.754 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 59.9 mttm 65.11 17.63 11.13 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.487 0.492 . . . . 0.0 110.985 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.75 21.11 66.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.773 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -124.16 110.73 15.05 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.936 0.874 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 48.9 m-85 -53.89 126.15 21.27 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.987 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.457 -177.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo . . . . . 0 CA--C 1.53 0.289 0 N-CA-C 112.954 0.329 . . . . 0.0 112.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.95 -47.47 86.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.842 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 53' ' ' ILE . 56.0 t -65.15 -47.42 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.195 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -56.09 -56.85 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 0.0 110.767 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.053 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.59 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.2 mt -60.53 -40.85 85.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.903 0.382 . . . . 0.0 110.601 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.23 -41.91 89.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.68 -21.63 41.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.165 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 60' ' ' ILE . 48.1 mt -67.57 -38.25 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.32 -39.32 94.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.041 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.27 -50.54 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.486 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.77 -33.12 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.244 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.7 mt -60.44 -56.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.378 175.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 11.6 tp10 -74.75 -10.13 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.645 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.97 34.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.085 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -81.4 -33.21 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.134 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.518 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 4.9 m-20 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 170.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 CA--C 1.527 0.069 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.04 133.17 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 m-85 -113.34 108.86 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 13.2 Cg_exo -71.0 -15.61 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.128 2.552 . . . . 0.0 112.407 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.42 143.79 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.888 0.375 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -92.27 96.1 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.82 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -121.12 102.84 43.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.936 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -37.89 -61.61 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 124.468 3.445 . . . . 0.0 114.438 -174.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.15 -40.2 74.92 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.008 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 75.9 mt -66.11 -34.38 77.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.434 -175.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 8' ' ' ALA . 80.6 mt -63.35 -52.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 60' ' ' ILE . 99.5 t -58.27 -46.53 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.441 0.639 . . . . 0.0 110.839 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.0 -28.34 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.652 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.15 -29.61 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.524 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -21.93 66.72 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 110.57 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -54.07 -30.12 46.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.056 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.58 -43.1 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.241 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -97.66 9.81 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.611 -172.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 21' ' ' THR . 2.5 pp -34.99 -21.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -171.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -116.44 122.01 43.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 119.47 1.032 . . . . 0.0 111.062 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.86 -151.26 22.99 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.158 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -118.44 128.54 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 tt -109.84 135.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -113.77 111.62 22.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.02 0.438 . . . . 0.0 110.58 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -110.19 148.1 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 67.0 mttm -72.59 -34.28 67.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.014 0.435 . . . . 0.0 111.205 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.73 -6.78 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.056 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 mt -129.05 -53.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.91 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.95 -150.33 17.15 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -88.61 134.45 33.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.312 0.556 . . . . 0.0 109.783 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 72.4 mt -128.06 147.14 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 110.686 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.84 105.87 16.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -119.49 141.68 48.96 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.887 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -140.71 117.29 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 62.43 28.55 16.87 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.67 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.63 -17.5 58.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.228 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -85.22 131.59 34.4 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.462 0.648 . . . . 0.0 109.709 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.08 -19.21 22.57 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.942 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.466 0.33 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.823 -179.408 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo . . . . . 0 C--O 1.235 0.35 0 CA-C-O 121.161 0.4 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -56.17 -53.7 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.461 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.23 -25.87 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.433 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.28 -41.94 93.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -45.03 93.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.461 -0.791 . . . . 0.0 108.963 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.16 -52.66 61.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.266 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -53.02 -48.65 52.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.673 0.273 . . . . 0.0 111.386 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.42 -38.95 91.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.17 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.71 -38.81 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.217 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.1 mt -60.48 -49.23 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.297 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -59.69 -39.21 83.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.832 0.349 . . . . 0.0 110.909 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.91 -46.78 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.345 0.593 . . . . 0.0 109.686 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.71 -41.01 94.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.11 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LEU . 76.9 mt -55.19 -54.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 42.4 mt-10 -74.52 -19.09 60.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.658 -176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.62 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.38 -36.43 76.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.137 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.576 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 6.2 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.043 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 3.5 tpm_? . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 25' ' ' TRP . 49.2 t -101.68 126.95 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.78 0.324 . . . . 0.0 110.344 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HE2' HD23 ' A' ' 11' ' ' LEU . 13.0 m-85 -105.67 110.6 64.37 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.58 -1.15 11.32 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.624 2.216 . . . . 0.0 111.601 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.8 152.87 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.26 -83.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.303 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.66 88.87 0.1 Allowed Pre-proline 0 N--CA 1.466 0.374 0 C-N-CA 123.217 0.607 . . . . 0.0 112.209 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -45.67 -56.84 2.52 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.497 2.798 . . . . 0.0 113.971 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 59' ' ' LEU . 93.5 mttt -71.45 -24.28 61.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.495 -175.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HE2' ' A' ' 4' ' ' PHE . 9.5 tt -71.57 -37.79 71.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 79.1 mt -59.66 -57.3 12.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 174.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 60' ' ' ILE . 73.8 t -54.6 -43.09 63.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.705 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.46 -35.29 79.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.483 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.34 -24.38 23.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 111.407 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.74 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.119 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.8 ttt-85 -71.76 -10.35 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.38 . . . . 0.0 111.078 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.2 mt -90.66 -46.34 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.687 0.756 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -100.79 11.33 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.195 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.583 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -36.5 -19.7 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -117.89 98.89 6.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.437 0.637 . . . . 0.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.3 -141.96 7.71 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.756 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.2 t -130.18 133.58 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.62 0.248 . . . . 0.0 110.43 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.5 tt -112.43 124.83 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.889 0.376 . . . . 0.0 110.06 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.451 ' HB2' HG22 ' A' ' 3' ' ' VAL . 13.7 m95 -99.53 102.19 13.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.232 0.539 . . . . 0.0 110.822 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 142.37 14.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.073 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -77.13 -22.41 52.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -89.4 -15.57 32.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.869 0.366 . . . . 0.0 111.492 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD22 HG22 ' A' ' 49' ' ' VAL . 96.2 mt -128.51 -46.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 111.445 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.7 -160.28 22.25 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 20.4 ptt180 -79.97 130.71 35.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.317 0.558 . . . . 0.0 110.447 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.1 mt -117.17 150.57 38.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.629 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -108.44 131.97 54.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.909 0.385 . . . . 0.0 110.358 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.94 143.7 33.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.157 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -136.58 136.5 39.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.692 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.6 ptpp? 47.51 31.95 2.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.905 0.882 . . . . 0.0 112.203 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.583 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 91.17 -7.38 80.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -99.01 107.31 19.7 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.055 0.931 . . . . 0.0 110.839 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 53' ' ' ILE . 39.6 m-85 -60.14 116.99 4.6 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.527 169.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--N 1.327 -0.383 0 O-C-N 123.336 0.398 . . . . 0.0 110.887 -175.296 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 C--O 1.235 0.352 0 N-CA-C 113.215 0.429 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -68.77 -25.77 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 111.497 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG22 HD22 ' A' ' 29' ' ' LEU . 41.7 t -83.09 -46.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 109.649 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.38 -44.86 92.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.908 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.97 -44.91 95.75 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.441 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -60.84 -51.96 67.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 39' ' ' PHE . 72.2 mt -62.74 -47.46 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.58 -31.84 71.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.142 -178.375 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 54' ' ' LEU . 34.4 tt0 -68.35 -40.03 81.64 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.6 mt -62.33 -46.39 88.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.516 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -62.31 -40.36 96.07 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.987 0.422 . . . . 0.0 110.625 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.38 -43.93 89.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.144 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 10' ' ' LYS . 51.8 tp -59.09 -43.08 91.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.877 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 HG13 ' A' ' 13' ' ' VAL . 86.2 mt -59.72 -50.03 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.662 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -76.55 -0.85 24.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.752 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.74 -49.62 7.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -66.02 -54.04 30.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -178.629 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 2' ' ' ARG . 10.9 mmm180 . . . . . 0 CA--C 1.515 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.05 131.76 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.733 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -127.86 106.59 20.4 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.19 -33.28 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 111.041 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -89.43 118.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.262 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -89.53 92.41 9.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.194 0.521 . . . . 0.0 110.047 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.07 98.08 45.08 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -41.88 -53.76 3.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.895 3.063 . . . . 0.0 114.153 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -52.5 -52.0 56.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.845 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.01 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.87 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.46 -52.6 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.019 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 HG12 ' A' ' 60' ' ' ILE . 73.2 t -65.45 -41.73 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.556 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.28 -40.79 74.82 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.096 0.475 . . . . 0.0 110.616 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -79.1 -33.75 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.43 -24.18 67.27 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -61.6 -28.85 69.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.06 0.457 . . . . 0.0 110.223 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.4 mt -101.07 -40.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.981 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' THR . 35.8 m-85 -88.51 11.18 17.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.793 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.557 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.0 pp -29.16 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.7 t -119.97 96.8 5.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.822 1.192 . . . . 0.0 110.889 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.39 -175.91 45.88 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.58 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 5.4 p -124.23 135.26 64.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.275 0.559 . . . . 0.0 110.879 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.6 tt -119.96 139.81 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.008 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ARG . 2.5 t-105 -109.56 112.43 24.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.63 149.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.43 -53.61 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.57 -47.6 10.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.887 0.375 . . . . 0.0 111.914 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.05 -31.26 56.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.701 -170.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.06 -153.85 18.64 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -175.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 7.5 ptp180 -85.05 138.54 32.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.137 0.469 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.36 130.46 34.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 53.2 mt-10 -101.87 127.07 48.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE2' ' O ' ' A' ' 19' ' ' PHE . 13.9 p90 -113.45 138.24 50.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.896 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 35.3 tt0 -140.43 131.96 27.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.514 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 57.4 mttp 62.81 24.39 14.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.244 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 80.19 17.9 73.09 Favored Glycine 0 C--O 1.226 -0.371 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.097 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 38.8 mtp180 -117.68 140.19 49.99 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.17 3.76 54.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.227 -173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 176.853 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 N-CA-C 111.65 -0.173 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.51 -47.61 66.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.039 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . 98.5 t -86.79 -44.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 54' ' ' LEU . 35.0 ttpt -59.47 -41.68 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.275 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.82 -40.24 92.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.822 0.344 . . . . 0.0 110.136 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -67.07 -42.77 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.7 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 49' ' ' VAL . 46.4 mm -62.9 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.0 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 50' ' ' LYS . 8.9 mp -63.54 -39.89 95.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -47.37 85.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.329 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.628 ' O ' HG13 ' A' ' 60' ' ' ILE . 83.9 mt -62.97 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -64.48 -40.04 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.03 -42.0 97.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.293 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.88 -34.05 77.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.891 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 56' ' ' LEU . 88.6 mt -60.53 -56.14 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.46 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.22 -13.22 62.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.254 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.22 -44.77 17.3 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.02 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.41 -27.38 41.79 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.0 p30 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 0.0 110.479 176.231 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 22.3 tpt180 . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 25' ' ' TRP . 46.8 t -118.87 123.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.459 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 24' ' ' ILE . 43.8 m-85 -109.02 110.19 60.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.142 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.57 -21.04 26.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.815 2.343 . . . . 0.0 111.08 174.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.87 129.63 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.238 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.71 101.59 7.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -118.68 105.97 44.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.987 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 -62.63 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.843 3.029 . . . . 0.0 114.093 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.21 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.247 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.97 -39.27 90.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.366 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ALA . 82.7 mt -65.7 -49.61 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.514 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG13 HG12 ' A' ' 60' ' ' ILE . 76.9 t -58.9 -45.75 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.219 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -64.21 -40.13 95.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.427 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -83.81 -20.99 32.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.64 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.201 0.524 . . . . 0.0 110.116 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -62.84 -21.75 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.387 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.53 -47.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.682 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 99.2 m-85 -88.48 9.5 23.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.207 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 35' ' ' GLU . 2.3 pp -37.97 -7.44 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PHE . 3.6 t -130.09 118.22 21.18 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 119.75 1.159 . . . . 0.0 111.027 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.27 -140.98 12.24 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.362 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.72 141.38 46.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 32' ' ' LEU . 10.5 tt -121.17 122.33 67.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.308 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.541 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.8 m95 -99.85 113.51 26.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.874 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.39 139.15 21.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -90.49 -18.54 25.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.486 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.02 -48.61 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.43 -144.18 15.46 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -91.61 125.12 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.768 0.284 . . . . 0.0 110.71 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 24' ' ' ILE . 88.3 mt -115.46 123.31 48.26 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 40' ' ' LEU . 8.5 pt-20 -96.94 138.66 34.14 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -150.65 152.1 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.471 . . . . 0.0 111.497 -174.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 34.1 tt0 -143.77 133.29 23.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.265 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.843 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 5.8 mptt 63.84 20.3 12.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.958 0.503 . . . . 0.0 111.246 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.78 -0.88 84.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.234 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -98.24 109.53 22.27 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.983 0.897 . . . . 0.0 110.405 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 40.7 m-85 -58.15 127.47 32.25 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.369 -1.741 . . . . 0.0 111.208 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 9.1 mp . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.407 0.622 . . . . 0.0 110.089 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.229 0.044 0 CA-C-O 120.554 0.147 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -61.41 -36.5 80.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.243 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.99 -46.83 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.885 0.374 . . . . 0.0 110.224 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.19 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.557 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.0 -44.19 97.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.32 83.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.94 -39.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.77 -35.21 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 60' ' ' ILE . 89.9 mt -64.54 -44.11 91.85 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.101 173.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.44 -38.4 80.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.865 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.91 -48.85 77.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.003 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.37 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.583 HG12 HG13 ' A' ' 13' ' ' VAL . 90.8 mt -57.78 -55.39 21.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.25 -41.02 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.541 0.525 . . . . 0.0 111.013 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.54 -55.62 12.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.525 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -71.82 -19.43 61.98 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.702 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 176.443 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.878 0.37 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 47.8 t -87.51 127.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.88 102.34 51.31 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.272 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -68.64 -10.06 27.94 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.257 2.638 . . . . 0.0 112.165 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.9 130.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -77.62 93.22 4.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.946 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -111.21 91.57 13.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.689 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 1.2 Cg_endo -44.62 -65.28 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 124.22 3.28 . . . . 0.0 114.106 -171.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' HD21 ' A' ' 59' ' ' LEU . 95.1 mttt -67.3 -25.05 65.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.716 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.32 -41.9 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.328 . . . . 0.0 110.217 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 8' ' ' ALA . 87.0 mt -57.28 -48.63 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.524 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.22 -37.46 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -62.73 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -26.11 67.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -58.87 -27.58 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 111.465 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -100.97 -39.62 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.503 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -86.36 8.88 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.386 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -28.83 -38.16 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -172.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.566 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 6.2 t -117.52 95.68 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.826 0.822 . . . . 0.0 110.104 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.25 -164.44 28.56 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.639 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG22 ' HG2' ' A' ' 33' ' ' GLU . 38.7 t -124.2 127.2 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.424 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 ' HE2' ' A' ' 39' ' ' PHE . 12.6 tt -117.73 149.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -130.22 97.17 4.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 109.926 -179.167 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.6 t -91.75 149.36 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 23.5 ttpp -62.41 -46.41 88.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.114 0.483 . . . . 0.0 111.439 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.62 -3.25 58.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.077 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 49' ' ' VAL . 77.0 mt -118.4 -56.51 2.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 0.0 111.055 -175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 25' ' ' TRP . . . 112.28 -150.39 18.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.617 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 31' ' ' ARG . 7.8 ttp180 -75.9 119.73 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.74 0.305 . . . . 0.0 110.993 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 96.5 mt -125.63 111.98 15.61 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 23' ' ' VAL . 43.6 mt-10 -94.76 105.31 17.24 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -109.03 155.48 20.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.152 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.585 ' HG3' ' HG2' ' A' ' 36' ' ' LYS . 10.0 tp10 -143.1 142.73 31.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.842 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 68.7 mmtt 63.3 16.71 9.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.444 0.697 . . . . 0.0 110.84 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.87 4.35 87.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.969 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 38' ' ' ARG . 28.4 mtp85 -114.12 133.45 55.56 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.218 1.008 . . . . 0.0 110.298 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.655 ' HE2' HG21 ' A' ' 24' ' ' ILE . 59.3 m-85 -85.05 126.67 33.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.302 -171.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.157 177.717 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo . . . . . 0 CA--C 1.532 0.425 0 N-CA-C 114.068 0.757 . . . . 0.0 114.068 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -65.19 -30.44 71.35 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.354 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' HA ' HD22 ' A' ' 29' ' ' LEU . 25.5 t -76.69 -46.39 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.63 -43.44 98.84 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.923 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.06 -45.95 86.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.838 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.71 -42.69 97.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.789 -175.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.05 -46.17 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.33 -29.97 66.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.765 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.67 -45.94 87.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.3 mt -61.68 -42.08 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -54.82 -50.28 68.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.124 0.487 . . . . 0.0 110.292 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.65 -43.24 99.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 10' ' ' LYS . 31.9 tp -61.06 -36.33 79.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.371 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 56' ' ' LEU . 85.9 mt -59.73 -47.33 91.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -71.71 -8.37 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.562 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.38 19.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -85.95 -28.94 23.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.255 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 p30 . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -178.811 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 . . . . . 0 N--CA 1.461 0.123 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -106.07 137.21 37.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.527 ' HE2' HD22 ' A' ' 11' ' ' LEU . 40.4 m-85 -123.8 95.08 45.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -78.12 -18.36 12.86 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.191 2.594 . . . . 0.0 112.334 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.5 -31.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.367 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 t80 62.67 91.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.477 0.656 . . . . 0.0 110.596 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -119.13 104.55 46.04 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.886 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -45.57 -60.94 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.7 2.933 . . . . 0.0 114.115 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.55 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.139 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD22 ' HE2' ' A' ' 4' ' ' PHE . 2.3 tt -60.94 -45.6 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.86 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 71.6 mt -65.14 -50.76 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.86 -46.59 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.499 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -63.99 -38.36 90.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.219 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.4 -28.28 52.66 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.023 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.37 66.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.03 -35.97 74.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.097 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -90.61 -38.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.945 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -82.27 12.32 4.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.583 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' LYS . 12.7 tp -23.94 -43.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.984 1.714 . . . . 0.0 114.95 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 5.1 t -125.01 79.94 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.0 0.905 . . . . 0.0 110.419 170.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.79 -173.37 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.439 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 t -125.64 136.78 59.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.454 0.645 . . . . 0.0 111.413 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -127.4 124.58 64.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.813 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 31' ' ' ARG . 2.2 t-105 -95.31 110.95 22.89 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 t -102.95 151.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -75.91 -6.29 50.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.0 -45.06 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.566 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 32' ' ' LEU . 60.3 mt -112.37 -11.33 13.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.778 0.323 . . . . 0.0 111.573 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -149.92 19.99 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.347 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 13.6 ptt180 -81.73 120.78 25.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.216 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 29' ' ' LEU . 95.9 mt -111.86 116.82 31.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.07 135.86 38.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 3.6 p90 -132.16 150.34 52.18 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.43 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 29.9 tt0 -135.64 125.35 25.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.889 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.607 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 mmmm 55.86 42.48 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.807 177.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.3 61.98 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.025 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -96.85 124.11 40.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.436 0.636 . . . . 0.0 110.342 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 12.6 m-85 -74.43 2.42 9.53 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.84 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.234 0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.891 176.11 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo . . . . . 0 N--CA 1.477 0.539 0 N-CA-C 113.217 0.43 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -82.58 -38.25 23.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.342 0.591 . . . . 0.0 110.622 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.621 ' HA ' HD22 ' A' ' 29' ' ' LEU . 20.8 t -79.01 -41.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.738 -168.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.533 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 64.2 tttm -63.36 -24.73 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.119 -177.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.99 -51.04 61.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.037 0.446 . . . . 0.0 109.855 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -72.05 -36.46 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.624 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' A' ' 50' ' ' LYS . 29.9 mt -56.67 -42.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.33 -42.91 99.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.65 -49.1 78.87 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.855 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 60' ' ' ILE . 86.5 mt -66.38 -47.45 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.835 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' ND2' HG23 ' A' ' 53' ' ' ILE . 25.2 m-80 -66.73 -35.3 79.78 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -176.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.98 -43.14 99.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.513 0.673 . . . . 0.0 109.205 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.46 -38.21 90.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.619 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.4 mt -60.58 -58.22 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 14.7 pt-20 -64.95 -25.4 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.36 -47.22 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -74.54 -38.33 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.302 0.572 . . . . 0.0 110.498 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 11.3 t30 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.154 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.571 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 2.3 mmp_? . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.689 0.28 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 25' ' ' TRP . 57.9 t -128.33 132.6 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.708 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CD1' HD11 ' A' ' 24' ' ' ILE . 52.1 m-85 -124.96 106.89 28.59 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 4.1 Cg_exo -75.49 8.38 2.63 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 123.193 2.596 . . . . 0.0 112.348 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.25 139.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 36.6 t80 -81.4 93.86 6.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.209 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.64 96.25 16.89 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.42 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -45.6 -56.2 2.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.661 2.908 . . . . 0.0 113.969 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -57.95 -40.58 80.9 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.57 -38.7 87.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.458 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 24' ' ' ILE . 91.4 mt -62.14 -52.25 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 177.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 HG12 ' A' ' 60' ' ' ILE . 83.5 t -61.15 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.513 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -63.37 -28.15 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.09 -27.88 22.86 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.567 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.67 63.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -50.74 -35.28 30.72 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.524 0.678 . . . . 0.0 110.94 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -101.08 -37.44 5.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' THR . 58.3 m-85 -96.3 10.17 38.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.486 -171.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 1.7 pp -52.29 5.16 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -171.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' PHE . 9.6 t -136.07 41.14 2.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.765 0.711 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.42 -143.75 4.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.183 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.96 139.78 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 110.694 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 4' ' ' PHE . 11.5 tt -128.24 130.28 69.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.442 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.4 m0 -104.96 99.34 8.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.648 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.4 t -92.62 141.84 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 34.3 ttpt -67.55 -45.94 74.2 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.906 0.384 . . . . 0.0 111.401 -174.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 7.3 m-20 -80.94 -15.03 57.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.535 -175.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 94.9 mt -107.83 -63.96 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.791 0.329 . . . . 0.0 111.033 -177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.28 -157.34 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.873 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -78.98 112.03 15.77 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.92 127.03 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.763 0.316 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -104.24 135.15 46.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.862 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -137.12 141.17 42.28 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 -177.548 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 32.9 tt0 -128.66 121.79 29.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.486 -173.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 32.1 mmmt 60.28 28.32 17.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.813 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 89.82 -9.35 77.52 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.68 -177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -88.94 114.32 25.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.679 0.752 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.85 120.2 25.35 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.371 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.966 0.412 . . . . 0.0 110.938 -178.053 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 26.5 Cg_endo . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.827 0.261 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.41 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.25 -40.28 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 63.4 tttp -55.28 -56.02 24.77 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.071 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 2.1 mp0 -67.11 -30.27 70.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.124 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -61.07 -47.99 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -66.14 -35.95 76.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.398 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 50' ' ' LYS . 6.9 mp -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 174.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 73.4 mm-40 -58.78 -39.55 81.38 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.756 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 72.2 mt -63.55 -46.82 84.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.486 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -66.37 -37.76 86.02 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.571 0.7 . . . . 0.0 109.411 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -42.65 90.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.65 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.39 -34.58 78.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.201 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG12 HG13 ' A' ' 13' ' ' VAL . 83.8 mt -59.92 -45.93 94.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.39 -28.72 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.483 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -78.14 -11.22 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.074 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 59.1 t30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.448 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.983 0.421 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.574 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 35.4 m -86.15 144.17 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.027 173.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -119.9 95.21 49.09 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.348 . . . . 0.0 110.611 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.27 0.09 9.79 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.113 2.542 . . . . 0.0 111.696 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.05 122.46 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.064 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -87.19 97.7 10.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -123.77 103.14 34.48 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.187 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 5.6 Cg_exo -42.54 -68.16 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.1 3.2 . . . . 0.0 113.831 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.698 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -26.05 66.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.23 -175.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.698 HD22 ' HG2' ' A' ' 10' ' ' LYS . 4.0 mm? -75.18 -53.47 8.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.588 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.62 -50.4 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.729 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 60' ' ' ILE . 39.5 t -62.02 -48.93 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.041 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -70.19 -27.14 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.831 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -78.07 -32.9 50.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 110.553 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -20.22 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.037 0.446 . . . . 0.0 110.536 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.58 -29.79 69.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.148 0.499 . . . . 0.0 110.15 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.64 -43.6 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -81.82 9.51 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.627 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 4.2 pp -32.77 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.4 t -121.07 99.74 6.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.494 0.588 . . . . 0.0 110.373 176.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.73 -159.38 29.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.158 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.2 t -132.39 131.14 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.236 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.0 tt -120.15 131.27 72.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.955 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 3' ' ' VAL . 13.0 m95 -102.11 89.29 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.197 0.523 . . . . 0.0 110.267 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.8 t -76.56 149.0 6.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.365 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 5' ' ' PRO . 6.0 tppp? -68.48 -57.4 5.88 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 0.0 111.194 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.42 -23.31 53.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.489 -173.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 89.5 mt -101.9 -82.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.74 -150.95 22.82 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.046 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 31' ' ' ARG . 43.7 ttp180 -77.23 107.89 9.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 24' ' ' ILE . 96.7 mt -115.69 133.84 55.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.354 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -108.94 136.12 49.0 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -140.94 140.41 34.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -176.673 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.3 tt0 -133.63 130.07 37.78 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.296 -175.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 94.0 mttt 63.44 24.15 14.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.911 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.07 -9.38 76.59 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.5 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -98.51 105.73 17.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.936 0.874 . . . . 0.0 110.289 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 4.8 m-85 -57.74 124.8 20.4 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.103 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 -178.291 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo . . . . . 0 CA--C 1.53 0.32 0 N-CA-C 113.611 0.581 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -63.75 -42.7 97.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.968 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 53' ' ' ILE . 42.4 t -64.92 -42.34 94.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.825 -176.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.376 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.09 -39.84 83.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -69.8 -43.27 72.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 49' ' ' VAL . 44.9 mm -60.66 -48.5 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.637 0.256 . . . . 0.0 110.854 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -39.33 93.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -58.63 -51.57 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.275 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 60' ' ' ILE . 74.5 mt -62.55 -44.87 95.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.016 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -40.18 94.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.52 -49.97 71.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.222 0.534 . . . . 0.0 109.736 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 13' ' ' VAL . 29.6 tp -57.58 -34.35 69.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.274 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.1 mt -57.28 -54.83 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 121.035 0.445 . . . . 0.0 109.828 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.63 -31.17 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.149 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.43 85.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.287 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -69.69 -29.12 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.832 0.349 . . . . 0.0 110.823 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.65 177.494 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.546 0.212 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -107.98 141.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.938 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -118.39 105.03 47.01 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.12 1.4 8.97 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.197 2.598 . . . . 0.0 111.379 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -133.58 133.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.303 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -94.49 96.8 9.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.93 0.395 . . . . 0.0 109.99 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.19 100.54 15.46 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.038 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.16 -59.03 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.689 2.926 . . . . 0.0 113.775 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -62.58 -30.41 71.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.62 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.1 tp -72.89 -48.47 37.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.999 0.428 . . . . 0.0 109.992 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.32 -49.17 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.95 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG21 HD23 ' A' ' 59' ' ' LEU . 74.9 t -58.55 -48.09 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 123.302 0.376 . . . . 0.0 111.433 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -65.13 -38.33 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -76.27 -33.08 59.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.61 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.337 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.44 178.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -93.02 -27.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.561 0.696 . . . . 0.0 110.449 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.06 10.02 41.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.348 -174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' THR . 3.5 pp -29.5 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -172.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' HD12 ' A' ' 20' ' ' LEU . 5.4 t -120.01 98.07 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.1 0.864 . . . . 0.0 109.993 170.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.92 33.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.804 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.78 122.94 69.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.619 0.247 . . . . 0.0 110.919 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 tt -118.66 145.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.17 106.94 12.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.798 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 t -95.26 155.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.52 -54.72 31.86 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.898 0.38 . . . . 0.0 111.578 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.73 -45.53 15.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.688 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.24 -27.97 42.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.703 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.5 -155.19 24.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.241 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 31' ' ' ARG . 10.2 ttp180 -75.79 121.1 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.381 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -122.5 140.36 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.008 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -105.45 137.27 43.55 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 1.3 p90 -133.53 142.58 48.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.994 0.426 . . . . 0.0 110.354 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -127.7 121.34 30.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.671 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 64.45 27.35 13.54 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.485 0.49 . . . . 0.0 110.728 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.12 -17.02 58.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.538 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -80.26 104.3 10.72 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.652 0.739 . . . . 0.0 110.33 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 30.0 m-85 -59.35 118.31 5.82 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.612 172.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.976 179.488 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 CA--C 1.528 0.224 0 N-CA-C 113.046 0.364 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.01 -33.13 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.765 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 53' ' ' ILE . 95.1 t -68.89 -43.86 82.1 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.27 -175.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -56.68 -46.53 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.798 0.332 . . . . 0.0 110.58 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -60.05 -45.42 92.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.369 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.16 80.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.969 0.414 . . . . 0.0 111.241 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 39' ' ' PHE . 28.9 mm -65.87 -40.01 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.438 177.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.27 -35.0 78.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.415 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.28 -50.12 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.9 0.381 . . . . 0.0 110.513 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 60' ' ' ILE . 97.3 mt -61.36 -46.82 88.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -65.16 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.76 -41.01 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 109.542 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 13' ' ' VAL . 59.1 tp -58.28 -41.72 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.306 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -59.19 -46.41 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.218 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.52 -42.49 92.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.067 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.46 83.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.496 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -73.13 -18.91 61.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 0.0 110.283 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.53 -177.761 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.16 136.17 48.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 110.944 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -127.15 103.17 23.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.307 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.44 -5.44 17.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.088 2.526 . . . . 0.0 112.142 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.28 146.36 34.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.327 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -88.21 100.99 13.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 0.0 110.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.77 94.94 30.43 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.44 -62.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.736 2.957 . . . . 0.0 113.939 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HA ' HD21 ' A' ' 59' ' ' LEU . 67.3 mttm -59.41 -38.53 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.07 -50.53 65.81 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.17 -49.24 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 HD23 ' A' ' 59' ' ' LEU . 38.7 t -64.13 -42.51 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.073 -177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -75.76 -31.44 59.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.29 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.23 -29.88 70.72 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.15 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -10.51 59.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.7 -51.2 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.385 0.612 . . . . 0.0 110.446 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' THR . 75.4 m-85 -93.26 11.82 26.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.597 -173.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 36' ' ' LYS . 1.3 pp -28.69 -28.15 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -172.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . 6.8 t -116.16 106.86 14.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 119.408 1.003 . . . . 0.0 110.802 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.9 23.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.586 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.69 125.24 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 122.521 0.329 . . . . 0.0 110.277 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' HB ' ' CE1' ' A' ' 34' ' ' PHE . 12.4 tt -119.16 144.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -128.07 106.37 9.02 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 t -102.51 154.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.977 0.418 . . . . 0.0 111.07 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.37 -39.66 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.775 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.99 -14.65 19.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.947 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 -150.86 32.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.068 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -83.81 134.79 34.7 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.8 mt -135.73 124.42 23.8 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.56 101.54 12.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 4.1 p90 -101.12 124.46 46.87 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.4 tt0 -129.34 117.35 20.49 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.573 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' A' ' 20' ' ' LEU . 44.7 mtmt 62.91 31.63 16.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.283 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.546 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 93.36 -4.53 73.71 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.902 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -103.24 121.96 43.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.711 0.767 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.18 13.32 9.72 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.093 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.53 0.175 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.092 -175.418 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 C--O 1.233 0.242 0 CA-C-O 120.723 0.218 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -35.99 70.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 53' ' ' ILE . 62.2 t -62.91 -47.91 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.93 -37.37 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.366 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.3 -38.35 86.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.961 0.41 . . . . 0.0 110.435 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -65.86 -38.43 88.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.507 177.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' VAL . 82.6 mt -58.3 -45.08 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.303 175.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.84 -48.06 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.646 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.86 -43.49 98.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.584 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 52' ' ' ALA . 60.0 mt -65.29 -47.17 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.502 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -66.73 -32.18 73.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD23 HG21 ' A' ' 13' ' ' VAL . 52.0 tp -57.55 -43.5 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.551 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.505 HG12 HG13 ' A' ' 13' ' ' VAL . 86.7 mt -61.26 -50.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.807 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.62 -31.1 69.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.957 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.99 86.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.361 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -70.71 -37.91 73.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.649 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 121.248 0.547 . . . . 0.0 110.373 176.045 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 24.5 mmt180 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 25' ' ' TRP . 72.1 t -103.24 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.851 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -95.93 116.24 66.09 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.007 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.85 2.09 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.8 2.334 . . . . 0.0 111.754 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.02 152.78 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.103 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -102.66 93.23 4.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.939 0.4 . . . . 0.0 110.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -126.07 92.27 46.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -48.27 -56.26 3.29 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.708 2.939 . . . . 0.0 113.898 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.05 -40.77 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.788 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.66 -45.16 95.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 110.539 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ALA . 77.2 mt -57.81 -45.08 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' A' ' 63' ' ' GLN . 75.1 t -62.23 -44.4 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.257 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -66.5 -34.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.148 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -68.49 -41.36 80.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.446 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -29.93 68.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.846 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.923 0.392 . . . . 0.0 111.015 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.0 -39.27 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.089 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.01 11.47 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.884 -172.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 21' ' ' THR . 4.0 pp -29.2 -33.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.466 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -109.91 97.79 7.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 0.0 109.979 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.25 -175.59 44.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.373 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -124.49 134.97 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 0.0 110.662 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 32' ' ' LEU . 9.5 tt -119.02 138.02 51.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.2 t90 -121.6 107.09 11.98 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.75 148.22 6.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.36 -30.38 67.29 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.033 0.444 . . . . 0.0 110.846 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.48 -58.09 3.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 49' ' ' VAL . 73.8 mt -84.76 -49.84 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.983 -172.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.23 -149.43 16.84 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -86.19 131.6 34.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -130.57 114.17 15.14 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.77 119.41 36.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 109.988 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 13.8 p90 -117.87 145.97 44.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -176.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 15.8 tp10 -137.57 134.23 35.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.104 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 60.4 mttm 64.31 17.53 10.79 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.351 0.407 . . . . 0.0 110.886 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -6.41 83.68 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.017 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -94.73 119.24 33.03 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.016 0.913 . . . . 0.0 110.06 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 16.8 m-85 -74.58 115.25 13.92 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.859 -1.518 . . . . 0.0 111.166 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.355 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.473 0.275 0 N-CA-C 113.054 0.367 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.88 -44.55 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.71 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' HA ' HD22 ' A' ' 29' ' ' LEU . 54.3 t -65.14 -45.97 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.347 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 58.3 mtpt -60.48 -40.85 92.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.39 -47.97 82.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.833 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 49' ' ' VAL . 80.3 mt -63.59 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 79.1 mt -64.7 -37.85 88.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.994 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.91 -42.9 99.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.12 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 60' ' ' ILE . 84.8 mt -64.97 -43.98 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.918 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -58.08 -40.54 81.36 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.69 -50.79 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.445 0.641 . . . . 0.0 110.001 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 40.4 tp -60.08 -38.9 84.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.121 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.0 mt -57.96 -48.37 84.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.512 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.125 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.61 98.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 13' ' ' VAL . 17.6 mm-40 -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.103 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.996 -176.542 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.647 0.26 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 25' ' ' TRP . 53.9 t -106.44 132.37 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.802 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.46 107.03 43.64 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.001 0.429 . . . . 0.0 111.057 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.73 -6.64 17.05 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.029 2.486 . . . . 0.0 111.099 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.68 134.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.894 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -92.83 98.43 11.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.697 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -116.57 94.88 44.59 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.093 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 2.4 Cg_endo -46.72 -62.31 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.826 3.017 . . . . 0.0 113.488 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 59' ' ' LEU . 23.6 mmmt -53.92 -45.43 71.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.416 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -67.48 -47.61 69.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.69 -52.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 HG12 ' A' ' 60' ' ' ILE . 98.9 t -66.04 -36.86 78.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.343 -178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.05 -46.82 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.388 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.745 -176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.29 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 6.4 tmm_? -65.72 -23.41 66.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -98.38 -35.78 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.486 0.66 . . . . 0.0 110.43 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.3 m-85 -93.51 12.18 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.227 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -29.31 -22.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.468 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.7 t -111.89 100.64 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 119.188 0.903 . . . . 0.0 110.325 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.4 -166.15 39.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 t -127.64 140.4 49.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.63 0.252 . . . . 0.0 110.343 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 tt -125.29 127.63 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.889 0.376 . . . . 0.0 110.146 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB2' HG22 ' A' ' 3' ' ' VAL . 14.5 m95 -99.67 88.03 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.101 0.477 . . . . 0.0 110.953 -176.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.24 147.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -41.04 69.69 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -171.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -73.79 -46.56 44.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 32' ' ' LEU . 84.2 mt -90.44 -29.65 17.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.488 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.39 -154.24 18.98 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.796 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -72.15 120.57 17.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.747 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 29' ' ' LEU . 94.2 mt -115.41 114.15 24.7 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.63 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -93.5 139.22 30.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.116 0.484 . . . . 0.0 109.832 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.74 147.87 38.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.4 tt0 -144.51 144.88 31.56 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 176.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 22.8 mttp 66.15 16.57 10.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.575 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.65 5.14 89.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.813 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -115.46 111.92 21.5 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 122.311 1.053 . . . . 0.0 110.607 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.05 133.26 43.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.022 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.598 -177.498 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo . . . . . 0 CA--C 1.53 0.285 0 N-CA-C 113.96 0.715 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -59.85 -49.54 77.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.387 0.613 . . . . 0.0 110.846 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.27 -46.7 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.907 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.89 -41.86 95.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -59.63 -47.85 83.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.704 0.288 . . . . 0.0 110.871 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -62.01 -50.51 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.49 -42.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.988 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.71 92.54 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.055 0.455 . . . . 0.0 110.603 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.32 -33.27 71.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.295 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.6 mt -66.19 -43.24 87.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 174.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.528 ' HA ' HD12 ' A' ' 60' ' ' ILE . 93.1 m-20 -58.17 -39.69 79.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.89 -43.22 85.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.888 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 10' ' ' LYS . 47.8 tp -67.12 -36.79 82.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.852 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 56' ' ' LEU . 74.5 mt -63.42 -49.09 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 110.539 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.8 mm-40 -68.09 -23.7 64.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.78 76.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.112 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.37 -31.41 65.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.218 0.532 . . . . 0.0 110.255 174.905 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.76 119.33 57.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -116.82 109.1 43.57 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.85 -21.8 18.25 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.618 2.212 . . . . 0.0 111.759 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 m -104.68 130.48 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.945 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.41 97.65 10.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.457 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.28 96.47 28.02 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.98 -53.74 6.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.711 2.941 . . . . 0.0 113.293 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 59' ' ' LEU . 4.1 tppp? -50.35 -53.42 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.6 . . . . 0.0 111.494 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.11 -53.93 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.733 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 HG12 ' A' ' 60' ' ' ILE . 94.0 t -66.84 -37.66 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.24 -36.38 79.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -90.5 -13.06 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.81 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.38 64.14 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -64.04 -21.04 66.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.789 0.328 . . . . 0.0 111.636 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.98 -44.79 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.059 0.457 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.85 10.55 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 21' ' ' THR . 3.2 pp -32.96 -29.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 20' ' ' LEU . 1.8 t -114.37 106.27 14.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.078 0.399 . . . . 0.0 109.983 172.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.29 -150.1 15.55 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.748 -1.215 . . . . 0.0 113.136 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.68 135.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.377 0.608 . . . . 0.0 110.932 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.2 tt -123.38 140.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.901 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -114.8 111.59 21.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.19 152.88 5.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -72.01 -52.28 17.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.71 -48.67 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.28 -58.69 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.6 -152.05 20.14 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -87.18 128.27 35.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 24' ' ' ILE . 87.7 mt -117.65 144.02 45.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.42 . . . . 0.0 110.853 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -118.63 129.73 55.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.711 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -144.47 144.39 31.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 111.527 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 41.4 tt0 -134.2 136.9 44.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.134 175.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 97.8 mttt 65.56 20.45 11.65 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.16 0.505 . . . . 0.0 110.21 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.74 -14.34 58.63 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.199 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -94.14 123.71 37.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.155 0.979 . . . . 0.0 110.812 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -74.75 130.78 40.09 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.53 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.353 -178.626 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo . . . . . 0 N--CA 1.472 0.258 0 N-CA-C 113.185 0.417 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -60.75 -37.47 81.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.17 -44.51 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.689 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 85.5 tttt -60.57 -45.97 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.99 -45.08 94.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.765 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.15 -46.0 89.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.53 -40.13 83.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.662 0.268 . . . . 0.0 110.943 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.8 mt -65.47 -44.2 87.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -35.95 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 60' ' ' ILE . 56.8 mt -64.19 -45.69 87.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m-80 -59.91 -32.85 71.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.19 -52.89 61.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.734 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 10' ' ' LYS . 43.3 tp -59.13 -39.14 81.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.766 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.2 mt -59.15 -54.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.25 -27.65 66.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.891 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.62 -27.18 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 111.371 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -87.63 -17.0 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.867 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.391 173.438 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.632 ' HB3' HG12 ' A' ' 24' ' ' ILE . 6.0 tpp180 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 25' ' ' TRP . 59.2 t -103.81 128.71 56.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.965 0.412 . . . . 0.0 111.623 -176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -111.78 120.94 41.09 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.17 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.53 -25.62 47.69 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.988 2.458 . . . . 0.0 112.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -128.48 147.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -63.03 97.48 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -120.31 82.81 31.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.94 -54.57 4.86 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.803 3.002 . . . . 0.0 112.877 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -50.28 -47.91 55.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.405 -1.27 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD13 ' HB1' ' A' ' 8' ' ' ALA . 8.4 mp -66.71 -45.01 80.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -178.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.4 mt -58.35 -52.43 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.938 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 60' ' ' ILE . 77.1 t -61.0 -45.33 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.207 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.25 -27.33 65.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.188 -174.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -87.04 -24.86 24.47 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.206 -0.309 . . . . 0.0 110.824 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.62 -22.4 65.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 111.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -56.2 -38.18 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 110.738 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.12 -34.82 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 77.7 m-85 -89.0 9.59 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.799 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 21' ' ' THR . 3.1 pp -32.39 -27.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.499 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.1 t -113.1 101.26 9.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.454 0.57 . . . . 0.0 110.359 175.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.24 -165.71 38.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.844 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG22 ' HG3' ' A' ' 33' ' ' GLU . 14.8 t -132.8 135.56 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.632 HG12 ' HB3' ' A' ' 2' ' ' ARG . 14.0 mt -118.36 126.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.549 ' HB2' HG22 ' A' ' 3' ' ' VAL . 15.1 m95 -104.03 113.23 26.62 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.379 0.609 . . . . 0.0 111.132 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -105.09 146.51 12.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.0 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -70.85 -38.89 73.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.313 0.578 . . . . 0.0 110.433 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.6 -25.48 63.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.075 -175.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 49' ' ' VAL . 89.2 mt -118.45 -68.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 111.339 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.7 -136.22 6.32 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptp85 -79.2 130.2 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 39' ' ' PHE . 86.4 mt -116.65 90.56 3.36 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.557 ' HG3' HG22 ' A' ' 23' ' ' VAL . 31.5 tt0 -91.35 135.97 33.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 12.8 p90 -146.76 150.78 36.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.15 0.5 . . . . 0.0 111.034 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -141.19 131.91 25.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.331 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 63.31 19.84 11.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.31 0.381 . . . . 0.0 111.164 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.51 -8.94 76.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.7 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -96.08 117.66 31.13 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-O 121.49 0.662 . . . . 0.0 110.413 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 23.8 m-85 -58.19 121.85 11.73 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.344 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' A' ' 33' ' ' GLU . 85.0 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.011 0.434 . . . . 0.0 110.517 -176.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 CA--C 1.528 0.191 0 N-CA-C 113.316 0.468 . . . . 0.0 113.316 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.29 -48.29 80.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.8 t -76.47 -40.99 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.285 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 54' ' ' LEU . 61.6 tttp -57.29 -47.7 80.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.573 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.9 -39.67 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.718 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -64.69 -40.43 95.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 49' ' ' VAL . 76.0 mt -64.25 -32.86 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 50' ' ' LYS . 7.5 mp -63.66 -45.37 90.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.035 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.33 -41.05 92.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.2 mt -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.03 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 21.7 m-80 -63.2 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.09 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.224 0.535 . . . . 0.0 109.842 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 13' ' ' VAL . 42.7 tp -57.88 -40.12 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.451 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 56' ' ' LEU . 81.8 mt -57.24 -53.15 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.15 -46.28 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.83 71.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -82.05 -18.84 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.237 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.506 0.193 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 115.04 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.428 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 25' ' ' TRP . 33.9 m -86.36 151.74 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 111.005 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 52.8 m-85 -132.16 103.38 14.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.35 -12.6 32.05 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.083 2.522 . . . . 0.0 112.249 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.17 157.86 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -80.56 -85.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . 53.17 81.05 0.27 Allowed Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 123.447 0.467 . . . . 0.0 111.943 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.58 -54.7 5.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.338 2.692 . . . . 0.0 113.538 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HG3' HD12 ' A' ' 11' ' ' LEU . 15.7 ptpt -65.44 -28.73 69.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.398 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' HG3' ' A' ' 10' ' ' LYS . 10.6 mp -72.62 -36.92 68.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.9 -54.12 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.499 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 60' ' ' ILE . 87.2 t -62.17 -44.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.224 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.96 -38.55 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 110.913 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -85.71 -20.42 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.27 63.99 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.547 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -58.71 -29.68 66.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.4 mt -100.14 -30.43 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.851 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -100.25 10.5 41.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.613 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD13 ' HA ' ' A' ' 36' ' ' LYS . 3.6 pp -29.3 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.61 ' N ' HD12 ' A' ' 20' ' ' LEU . 15.3 t -112.54 112.78 24.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.597 0.713 . . . . 0.0 110.456 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.62 -142.21 7.97 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.049 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.79 139.59 11.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 120.696 0.284 . . . . 0.0 110.436 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 34' ' ' PHE . 27.4 pt -120.23 152.6 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.651 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.542 ' HB2' HG12 ' A' ' 3' ' ' VAL . 17.0 m95 -120.48 79.49 1.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.768 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 3.7 t -72.6 142.38 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -11.56 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.3 t70 -94.54 -37.99 11.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' HA ' ' A' ' 49' ' ' VAL . 84.8 mt -103.8 -55.22 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.17 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 -143.16 14.65 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.028 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -79.29 113.57 17.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD11 HD12 ' A' ' 29' ' ' LEU . 89.8 mt -120.63 116.73 25.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.9 143.82 27.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.096 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -149.27 136.59 20.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' HG3' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -125.25 112.63 16.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.345 -175.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.714 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.9 mtmp? 55.15 48.23 20.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.754 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.41 -34.1 5.68 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.159 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -86.51 108.6 18.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 122.051 0.929 . . . . 0.0 111.659 -175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 28.9 m-85 -61.69 123.46 18.01 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 113.439 -1.709 . . . . 0.0 110.468 172.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.63 153.81 17.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.27 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.08 110.43 46.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.735 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.41 -43.56 50.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 111.351 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -167.01 -163.77 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.893 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -59.84 -55.26 36.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.306 . . . . 0.0 110.28 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 m 61.2 -164.24 0.24 Allowed 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.221 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.24 143.34 48.51 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.88 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.18 -37.76 39.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.197 2.598 . . . . 0.0 112.518 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -50.54 -50.32 53.65 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.5 t -74.22 -43.64 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.936 -176.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 54' ' ' LEU . 60.9 tttm -61.8 -48.09 82.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.954 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.27 -35.25 77.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.615 0.245 . . . . 0.0 110.849 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.87 -47.09 87.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.25 -36.49 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 50' ' ' LYS . 8.2 mp -64.31 -45.83 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -69.27 -28.11 66.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' O ' HG13 ' A' ' 60' ' ' ILE . 69.0 mt -65.82 -44.75 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 27.9 m-80 -65.42 -32.88 74.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 110.713 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.34 -49.36 77.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.54 0.686 . . . . 0.0 109.722 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 10' ' ' LYS . 41.9 tp -60.9 -38.36 85.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.651 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -56.68 -49.09 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.579 176.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.63 -18.24 63.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.033 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.94 28.89 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.782 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -75.49 -36.44 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.467 . . . . 0.0 110.507 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -76.08 -70.31 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.205 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 69.79 -38.91 0.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.73 0.812 . . . . 0.0 112.818 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -70.35 -65.01 0.78 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.632 0.253 . . . . 0.0 111.094 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.0 m 56.86 85.65 0.08 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.377 0.608 . . . . 0.0 110.143 -172.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -75.9 115.68 15.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.56 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.41 HG22 ' HG3' ' A' ' 72' ' ' GLU . 10.1 p -72.32 112.0 8.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.137 -174.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.16 -51.28 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.9 mt -138.15 30.05 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.986 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HG3' HG22 ' A' ' 69' ' ' THR . 4.5 mm-40 -63.79 -28.76 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.993 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 77.68 134.05 0.06 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.818 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.062 173.167 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.929 0.395 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 7.5 tpm_? -133.11 113.22 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.99 142.92 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.9 m-85 -130.7 111.89 16.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' PHE . 20.6 Cg_exo -66.47 -22.38 51.94 Favored 'Trans proline' 0 C--N 1.34 0.101 0 C-N-CA 122.844 2.363 . . . . 0.0 111.727 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 t -125.09 139.67 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.611 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -83.15 80.44 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.533 0.683 . . . . 0.0 109.994 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -106.9 101.15 35.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.092 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -40.91 -57.96 1.17 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.09 3.194 . . . . 0.0 114.415 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' HB1' ' A' ' 8' ' ' ALA . 10.0 mp -63.99 -40.27 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.0 110.327 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.83 -54.47 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG13 HG12 ' A' ' 60' ' ' ILE . 98.8 t -61.96 -41.49 91.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.588 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -57.15 -41.0 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -84.9 -28.7 25.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.21 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.722 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -67.02 -23.97 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.456 . . . . 0.0 110.693 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -95.03 -43.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.202 0.525 . . . . 0.0 110.392 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -93.35 10.39 32.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.537 -175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -32.03 -26.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.547 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.8 t -116.09 116.38 27.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.737 0.699 . . . . 0.0 110.743 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.08 -148.9 20.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG12 ' HG2' ' A' ' 33' ' ' GLU . 34.2 m -125.07 152.09 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.824 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 34' ' ' PHE . 10.8 tt -131.53 143.87 39.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.679 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 31' ' ' ARG . 2.1 t90 -130.24 107.72 9.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.2 143.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.42 -39.95 81.39 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.866 0.365 . . . . 0.0 110.964 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.24 -35.36 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.842 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.92 -76.68 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.076 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.18 -157.14 27.82 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' ' CE3' ' A' ' 25' ' ' TRP . 25.3 ttm180 -86.07 125.11 33.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.613 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' HG23 ' A' ' 24' ' ' ILE . 44.4 mt -126.23 171.12 11.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' HG2' HG12 ' A' ' 23' ' ' VAL . 40.4 mt-10 -123.97 170.87 10.19 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -164.07 147.11 9.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.62 0.724 . . . . 0.0 112.222 172.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.516 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 10.4 tp10 -136.14 139.29 42.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 169.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 41.1 mtmt 64.09 11.94 6.6 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.48 0.488 . . . . 0.0 111.018 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.464 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 62.62 38.04 95.75 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.092 -174.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 -110.48 -2.67 16.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.614 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 19.4 m-85 67.69 127.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.079 0.942 . . . . 0.0 113.354 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 73.0 mt -125.13 137.42 54.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.234 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD21 ' HE2' ' A' ' 50' ' ' LYS . 1.7 pp -110.73 156.47 40.57 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.141 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -75.93 -172.18 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.793 2.329 . . . . 0.0 111.751 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -68.84 -44.55 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.118 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.73 107.58 18.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 34.9 t -118.45 -30.64 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.843 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 45' ' ' SER . 95.8 mt 77.65 132.58 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.208 0 C-N-CA 123.745 0.818 . . . . 0.0 110.136 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.1 Cg_exo -49.58 -41.64 44.41 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.022 2.482 . . . . 0.0 112.412 -178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -62.75 -32.61 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.489 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 45' ' ' SER . 84.7 t -82.91 -35.76 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.905 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE2' HD21 ' A' ' 41' ' ' LEU . 59.6 tttm -66.35 -33.3 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.102 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 47' ' ' PRO . 29.3 mm-40 -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.925 0.393 . . . . 0.0 110.343 174.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -66.0 -39.53 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.368 177.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 49' ' ' VAL . 79.1 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.53 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.45 -36.67 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -44.5 96.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.1 mt -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.617 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.22 -44.74 84.02 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 58' ' ' GLU . 18.9 tp10 -61.45 -47.9 83.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.991 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 58.8 tp -54.61 -42.28 70.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.887 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 56' ' ' LEU . 79.9 mt -57.63 -56.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.19 -30.18 69.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.665 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.43 63.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 111.016 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 25.4 mt-30 -94.43 -35.46 12.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.02 -54.57 36.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.4 67.37 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.586 0.707 . . . . 0.0 110.635 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -115.4 -33.14 5.38 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.473 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 68' ' ' LYS . 1.5 m 55.59 -140.31 0.91 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.329 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' H ' HG22 ' A' ' 67' ' ' THR . 63.3 tttp -110.15 -13.53 14.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.433 0.635 . . . . 0.0 109.869 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 72' ' ' GLU . 17.7 m -78.27 130.83 36.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.314 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.88 90.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 tp 62.21 107.45 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 O-C-N 124.123 0.889 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HG2' ' HB ' ' A' ' 69' ' ' THR . 43.4 mt-10 -80.51 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.076 -176.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -74.29 87.88 2.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.906 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.9 t60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 -176.462 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.672 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 65.1 mtm . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 2' ' ' ARG . 9.0 mmm180 -100.4 145.33 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.65 130.41 73.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.758 0.314 . . . . 0.0 110.297 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -125.96 111.07 24.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.295 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 73.8 Cg_endo -75.52 1.09 8.37 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.963 2.442 . . . . 0.0 112.763 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.17 140.43 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.206 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 48.5 t80 -83.14 92.73 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.124 0.487 . . . . 0.0 110.015 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.08 90.11 51.53 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -42.94 -51.09 5.71 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.683 2.922 . . . . 0.0 112.87 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -49.02 -57.11 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.447 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.45 -40.77 96.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.113 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.63 -56.2 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 60' ' ' ILE . 95.4 t -65.05 -34.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.32 -43.91 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 110.865 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -84.1 -27.57 28.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.172 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.45 -25.6 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.639 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -64.46 -23.8 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.089 0.471 . . . . 0.0 110.692 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -100.24 -46.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.186 0.517 . . . . 0.0 110.515 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.1 10.04 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.869 -176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -31.77 -27.39 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -174.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' HD12 ' A' ' 20' ' ' LEU . 6.3 t -115.88 97.37 6.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 119.245 0.93 . . . . 0.0 110.378 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.2 -167.5 36.76 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 26.3 t -123.06 136.67 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 39' ' ' PHE . 11.2 tt -121.78 141.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -120.63 100.03 6.89 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 t -90.41 147.36 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 12.5 tppt? -76.29 -31.18 58.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 3.9 m-20 -91.89 5.33 50.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.393 -177.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 96.3 mt -139.13 -61.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.238 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.6 -153.79 20.61 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -84.07 130.61 34.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.089 0.471 . . . . 0.0 110.886 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -134.32 136.2 43.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.815 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 23' ' ' VAL . 39.1 mt-10 -108.76 135.62 49.67 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 14.4 p90 -134.38 152.47 51.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 111.612 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.39 136.29 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.603 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.14 17.49 11.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.954 0.406 . . . . 0.0 110.46 -175.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.55 -17.45 52.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.759 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -90.96 116.54 28.85 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.355 1.074 . . . . 0.0 110.673 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.673 ' HE2' HG21 ' A' ' 24' ' ' ILE . 83.7 m-85 -56.25 125.69 22.92 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.442 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -91.54 108.51 19.95 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.3 tp -95.65 103.75 13.84 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.81 -62.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 111.831 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -134.2 162.68 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.768 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -60.6 130.85 48.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -135.28 -82.38 0.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 49' ' ' VAL . 34.7 tp -109.11 124.64 33.52 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' HD12 ' A' ' 46' ' ' LEU . 55.3 Cg_exo -53.37 -39.3 82.02 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.272 2.648 . . . . 0.0 113.44 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.38 -32.83 73.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.579 HG23 HD23 ' A' ' 46' ' ' LEU . 63.7 t -69.48 -41.49 80.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -60.04 -47.14 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.712 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 7.5 tp60 -58.84 -45.74 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.323 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -57.12 -52.3 65.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 39' ' ' PHE . 74.1 mt -56.95 -44.68 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.133 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.468 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 42.3 mt-10 -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 85.6 mt -64.62 -44.96 88.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.0 m-20 -61.99 -34.84 76.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.81 -51.46 69.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -61.26 -38.12 85.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.922 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 94.0 mt -58.34 -55.24 23.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.669 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 34.6 tt0 -67.66 -30.58 70.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -176.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.64 83.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.225 0.536 . . . . 0.0 110.511 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -82.09 -32.07 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.398 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.624 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 26.3 t-20 -60.95 -39.21 88.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.76 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.86 -30.26 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.692 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 60.93 84.92 0.12 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.47 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -152.37 112.38 4.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.359 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 33.3 ttmt -71.19 126.88 30.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.894 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 p -68.68 162.84 25.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 112.457 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.64 -156.44 0.27 Allowed 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.519 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.4 tp -75.27 84.98 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.223 0.535 . . . . 0.0 110.766 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -91.13 4.2 52.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.379 0.609 . . . . 0.0 110.263 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -85.2 94.3 8.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.711 176.041 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 24' ' ' ILE . 42.6 ttm180 -88.77 106.25 18.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.622 HG12 ' HB2' ' A' ' 25' ' ' TRP . 20.1 m -88.63 141.93 13.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -124.32 105.76 30.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.688 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 14.9 Cg_exo -69.6 -22.07 33.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.747 2.298 . . . . 0.0 111.431 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.52 154.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.253 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -100.85 103.8 15.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -115.76 97.03 48.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.27 -63.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.448 2.766 . . . . 0.0 113.534 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.06 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.723 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.92 -43.25 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 8' ' ' ALA . 81.5 mt -60.19 -52.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.658 0.266 . . . . 0.0 110.644 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG13 HG12 ' A' ' 60' ' ' ILE . 66.3 t -63.1 -41.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.24 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.08 -29.77 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.182 0.515 . . . . 0.0 111.133 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -91.57 -9.74 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.44 -11.84 44.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.399 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -57.13 -43.4 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.769 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.4 mt -94.66 -30.46 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.423 0.63 . . . . 0.0 110.982 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.08 12.1 35.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.072 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 21' ' ' THR . 1.9 pp -35.67 -17.68 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.0 t -112.18 100.16 8.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.08 0.854 . . . . 0.0 110.347 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.74 -165.82 38.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.401 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 33' ' ' GLU . 19.9 m -129.5 146.73 33.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.971 0.415 . . . . 0.0 111.295 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 2' ' ' ARG . 23.8 mt -131.62 133.88 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.248 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.622 ' HB2' HG12 ' A' ' 3' ' ' VAL . 11.7 m95 -110.11 94.94 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.71 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 28' ' ' ASP . 5.2 t -86.6 150.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 5' ' ' PRO . 72.4 mmtt -68.55 -24.5 64.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 14.7 t70 -86.11 -51.6 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.086 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.718 HD12 HD11 ' A' ' 32' ' ' LEU . 89.7 mt -90.58 -16.75 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.055 -173.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -80.94 1.21 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.716 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -140.52 124.12 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 29' ' ' LEU . 92.7 mt -117.62 130.89 56.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 23' ' ' VAL . 34.4 mt-10 -114.46 129.36 56.65 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 27.7 p90 -140.34 143.56 35.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.13 0.49 . . . . 0.0 111.462 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -132.68 127.42 34.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.586 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 66.84 23.48 10.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.676 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 99.24 -23.2 37.28 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.442 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -85.25 102.84 13.68 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 111.043 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 50.3 m-85 -55.07 123.4 13.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.791 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -95.92 129.64 43.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' A' ' 42' ' ' PRO . 51.9 tp -75.23 120.67 82.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.045 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' HD12 ' A' ' 41' ' ' LEU . 8.0 Cg_exo -68.59 82.12 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.221 2.614 . . . . 0.0 112.372 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 66.79 -80.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.474 0.71 . . . . 0.0 111.655 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -142.99 -41.76 0.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.634 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.2 p 55.8 -95.52 0.05 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.305 1.042 . . . . 0.0 112.681 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 48' ' ' LYS . 5.7 tt -160.47 140.45 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.65 -48.08 14.59 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.467 2.778 . . . . 0.0 113.652 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' H ' HD23 ' A' ' 46' ' ' LEU . 47.5 tttm -58.74 -41.89 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 0.0 110.92 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 HD22 ' A' ' 29' ' ' LEU . 99.3 t -66.51 -43.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.292 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 57.2 mtpt -58.05 -44.86 87.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.356 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -55.82 -43.66 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.905 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.98 -38.81 83.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 49' ' ' VAL . 43.3 mm -60.88 -48.05 90.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.273 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 78.2 mt -60.54 -40.02 90.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.057 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.67 -43.13 99.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.632 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.8 mt -64.29 -46.68 82.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.714 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -58.74 -41.67 87.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.712 0.291 . . . . 0.0 110.456 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.4 -51.97 67.58 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.726 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 53.1 tp -58.08 -45.03 87.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.484 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -57.06 -52.95 49.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 110.582 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.15 -25.2 66.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.758 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.29 -22.61 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.437 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 19.0 mt-30 -76.12 -41.22 50.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.01 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -75.55 -71.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.969 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t60 54.64 39.13 31.04 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.365 0.602 . . . . 0.0 111.236 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -100.89 153.3 19.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 p -89.82 10.06 25.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -75.93 87.11 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.126 0.489 . . . . 0.0 110.677 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 p -79.88 63.04 4.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.628 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.35 13.12 2.26 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.189 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp 60.91 24.4 14.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.126 0.488 . . . . 0.0 110.626 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -85.21 -63.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.239 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 73.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.381 0.673 . . . . 0.0 112.668 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.3 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.429 . . . . 0.0 111.421 -174.67 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -152.04 140.66 20.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.364 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.54 126.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.15 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.5 114.13 57.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.01 0.433 . . . . 0.0 111.501 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 5.5 Cg_exo -78.57 -2.12 12.2 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.045 2.497 . . . . 0.0 111.769 175.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.28 127.81 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -87.5 103.09 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.11 104.46 13.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -44.51 -58.66 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.917 3.078 . . . . 0.0 114.09 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.09 -39.37 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.724 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.66 -37.86 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.56 -52.02 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 HG12 ' A' ' 60' ' ' ILE . 87.1 t -62.65 -44.07 99.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.561 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -62.38 -36.97 83.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.257 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -79.45 -29.57 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.736 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.7 68.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.312 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -26.82 68.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.9 mt -101.21 -37.38 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -90.64 8.48 34.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.412 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -29.93 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -175.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.568 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.2 t -111.41 94.09 4.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.553 0.692 . . . . 0.0 110.195 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.1 -153.77 14.44 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.69 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.96 136.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 32' ' ' LEU . 5.6 tt -120.65 120.05 61.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 109.749 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -99.98 113.57 26.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.151 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -109.33 145.78 15.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 44.0 mtmt -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.647 -174.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.13 0.52 55.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.171 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.62 -59.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.951 0.405 . . . . 0.0 110.746 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.25 -156.33 22.33 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -88.15 116.55 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.22 0.534 . . . . 0.0 110.098 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -103.51 105.39 15.62 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.14 130.26 35.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.808 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.08 135.62 29.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.118 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 23.8 tt0 -125.88 127.36 45.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.757 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.544 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 55.3 mttp 63.4 21.93 13.02 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.408 0.442 . . . . 0.0 110.399 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.35 -14.58 62.12 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.134 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 102.62 14.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.724 0.773 . . . . 0.0 109.744 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.62 120.59 5.85 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.877 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.4 mt -82.27 -3.4 55.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.702 0.763 . . . . 0.0 110.545 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 53' ' ' ILE . 3.6 mm? -114.42 96.0 41.59 Favored Pre-proline 0 C--N 1.31 -1.143 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.874 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -99.84 -106.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.746 2.964 . . . . 0.0 112.672 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 19.6 mtm-85 -89.01 -18.72 26.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.557 0.694 . . . . 0.0 109.567 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.55 71.84 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.168 173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.8 p -159.4 -165.98 1.69 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.061 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.03 141.87 63.6 Favored Pre-proline 0 C--O 1.221 -0.447 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -43.97 -56.81 2.23 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.523 2.815 . . . . 0.0 114.264 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 88.3 tttt -72.41 -35.89 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.128 0.49 . . . . 0.0 110.992 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' ILE . 59.9 t -68.78 -37.17 77.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.127 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HG3' ' HA ' ' A' ' 43' ' ' ARG . 34.9 ttpt -55.03 -54.03 48.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.474 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 1.7 pp0? -66.08 -25.57 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.602 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -72.94 -43.64 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.589 HG21 ' O ' ' A' ' 41' ' ' LEU . 93.4 mt -61.74 -44.71 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.343 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 97.7 mt -58.58 -44.64 89.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.58 -41.62 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.364 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.1 mt -63.34 -45.97 88.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.0 m-20 -58.69 -39.93 82.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.33 -45.87 82.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.044 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.35 -35.12 76.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.841 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.7 mt -57.1 -53.86 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -40.97 96.22 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.313 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.82 -43.85 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.523 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.99 -35.03 50.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -77.16 -30.04 54.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 111.512 -176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -80.7 -21.95 40.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.778 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 67' ' ' THR . 48.0 tt0 -97.03 147.21 24.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.15 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 6.6 t -92.87 171.95 8.65 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.53 158.29 34.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.738 0.304 . . . . 0.0 111.0 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -70.49 113.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.72 -177.66 0.21 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.915 0.76 . . . . 0.0 109.74 -171.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp 64.66 28.89 13.11 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.177 0.513 . . . . 0.0 110.09 -176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -69.22 -8.51 46.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.985 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 43.37 51.9 5.9 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.075 0.86 . . . . 0.0 111.591 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.734 179.797 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 20.0 mmt180 -107.45 141.63 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.953 -175.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 25' ' ' TRP . 48.6 t -126.66 127.07 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.582 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 24' ' ' ILE . 55.6 m-85 -120.73 98.52 47.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 111.077 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 12.7 Cg_exo -71.26 -32.78 12.29 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.7 2.267 . . . . 0.0 111.677 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.73 -37.27 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.086 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 57.2 86.96 0.07 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.452 0.644 . . . . 0.0 111.136 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -123.8 100.02 37.86 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.807 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -38.1 -60.7 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.178 3.252 . . . . 0.0 114.569 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.796 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.28 -34.89 78.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.592 -174.7 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.796 HD12 ' HG2' ' A' ' 10' ' ' LYS . 9.2 mp -67.66 -41.38 83.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.718 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.32 -48.83 85.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 61.1 t -66.51 -37.82 80.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.37 -31.21 71.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 111.081 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -81.38 -32.05 33.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 110.176 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.37 66.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 13.0 mmm180 -58.06 -30.8 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.257 0.551 . . . . 0.0 110.371 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.77 -40.83 8.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.765 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 28.8 m-85 -87.24 10.33 17.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 -177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.506 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.9 pp -29.2 -31.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 t -116.56 90.78 3.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.027 0.83 . . . . 0.0 110.153 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.23 -169.98 38.37 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 1' ' ' MET . 41.5 t -124.19 140.23 48.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 4' ' ' PHE . 9.2 tt -131.8 138.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.782 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.558 ' HB2' HG22 ' A' ' 3' ' ' VAL . 12.6 m95 -109.67 124.51 51.33 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.651 0.739 . . . . 0.0 110.554 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.555 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.4 t -108.84 141.81 23.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.268 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 36.8 ttpt -66.08 -35.92 81.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -97.97 1.4 47.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.343 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 90.5 mt -125.9 -50.54 1.58 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.359 . . . . 0.0 111.522 -177.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.1 -144.16 17.12 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -86.03 137.79 32.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.02 0.41 . . . . 0.0 110.344 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 24' ' ' ILE . 94.8 mt -126.65 110.21 12.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -102.07 118.06 36.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.557 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 11.1 p90 -126.36 158.16 36.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.915 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.625 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 40.5 tt0 -136.45 135.55 38.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.754 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 59.9 mttm 65.11 17.63 11.13 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.487 0.492 . . . . 0.0 110.985 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.75 21.11 66.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.773 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -124.16 110.73 15.05 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.936 0.874 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 48.9 m-85 -53.89 126.15 21.27 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.987 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 83.3 mt -81.52 154.76 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.457 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 41' ' ' LEU . 2.8 mm? -103.59 103.59 37.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.7 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 88.2 Cg_endo -90.2 131.1 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 176.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -78.26 163.5 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 60.66 80.41 0.21 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.694 0.759 . . . . 0.0 109.803 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 p -143.61 175.35 10.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.496 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.28 139.08 52.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.99 -52.53 8.55 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 123.384 2.723 . . . . 0.0 112.954 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.95 -47.47 86.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.842 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 53' ' ' ILE . 56.0 t -65.15 -47.42 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.195 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -56.09 -56.85 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 0.0 110.767 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.053 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.59 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.2 mt -60.53 -40.85 85.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.903 0.382 . . . . 0.0 110.601 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.23 -41.91 89.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.68 -21.63 41.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.165 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 60' ' ' ILE . 48.1 mt -67.57 -38.25 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.32 -39.32 94.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.041 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.27 -50.54 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.486 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.77 -33.12 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.244 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.7 mt -60.44 -56.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.378 175.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 11.6 tp10 -74.75 -10.13 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.645 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.97 34.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.085 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -81.4 -33.21 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.134 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.518 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 4.9 m-20 -67.82 -72.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 170.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.8 t60 58.63 29.06 18.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.673 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.64 -27.26 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.177 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 t -68.28 113.71 6.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.425 0.631 . . . . 0.0 110.439 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -85.33 41.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.87 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.18 34.47 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.7 89.5 7.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.076 0.465 . . . . 0.0 109.836 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 71' ' ' LEU . 3.4 mm? -95.58 165.68 12.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.499 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -78.97 -10.51 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.778 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -112.96 63.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.448 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.7 m80 . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.767 177.9 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.583 ' HG2' ' H ' ' A' ' 23' ' ' VAL . 85.3 mtp . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -157.88 143.23 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.413 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.04 133.17 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 m-85 -113.34 108.86 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 13.2 Cg_exo -71.0 -15.61 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.128 2.552 . . . . 0.0 112.407 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.42 143.79 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.888 0.375 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -92.27 96.1 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.82 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -121.12 102.84 43.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.936 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -37.89 -61.61 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 124.468 3.445 . . . . 0.0 114.438 -174.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.15 -40.2 74.92 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.008 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 75.9 mt -66.11 -34.38 77.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.434 -175.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 8' ' ' ALA . 80.6 mt -63.35 -52.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 60' ' ' ILE . 99.5 t -58.27 -46.53 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.441 0.639 . . . . 0.0 110.839 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.0 -28.34 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.652 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.15 -29.61 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.524 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -21.93 66.72 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 110.57 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -54.07 -30.12 46.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.056 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.58 -43.1 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.241 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -97.66 9.81 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.611 -172.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 21' ' ' THR . 2.5 pp -34.99 -21.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -171.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -116.44 122.01 43.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 119.47 1.032 . . . . 0.0 111.062 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.86 -151.26 22.99 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.158 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.583 ' H ' ' HG2' ' A' ' 1' ' ' MET . 39.3 t -118.44 128.54 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 tt -109.84 135.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -113.77 111.62 22.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.02 0.438 . . . . 0.0 110.58 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -110.19 148.1 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 67.0 mttm -72.59 -34.28 67.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.014 0.435 . . . . 0.0 111.205 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.73 -6.78 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.056 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 mt -129.05 -53.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.91 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.95 -150.33 17.15 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -88.61 134.45 33.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.312 0.556 . . . . 0.0 109.783 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 72.4 mt -128.06 147.14 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 110.686 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.84 105.87 16.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -119.49 141.68 48.96 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.887 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -140.71 117.29 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 62.43 28.55 16.87 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.67 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.63 -17.5 58.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.228 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -85.22 131.59 34.4 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.462 0.648 . . . . 0.0 109.709 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.08 -19.21 22.57 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.942 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp 52.95 -169.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.823 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.24 98.37 48.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 165.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.65 87.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.343 2.696 . . . . 0.0 113.065 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.54 -94.84 0.05 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.688 0.618 . . . . 0.0 111.518 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -115.78 105.91 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 p -103.88 153.2 21.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.662 -174.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mm? -64.69 138.85 97.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.707 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 32.9 Cg_exo -59.0 -35.46 98.55 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 111.123 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -56.17 -53.7 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.461 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.23 -25.87 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.433 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.28 -41.94 93.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -45.03 93.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.461 -0.791 . . . . 0.0 108.963 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.16 -52.66 61.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.266 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -53.02 -48.65 52.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.673 0.273 . . . . 0.0 111.386 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.42 -38.95 91.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.17 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.71 -38.81 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.217 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.1 mt -60.48 -49.23 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.297 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -59.69 -39.21 83.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.832 0.349 . . . . 0.0 110.909 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.91 -46.78 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.345 0.593 . . . . 0.0 109.686 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.71 -41.01 94.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.11 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LEU . 76.9 mt -55.19 -54.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 42.4 mt-10 -74.52 -19.09 60.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.658 -176.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.62 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.38 -36.43 76.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.137 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.576 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 6.2 m-20 -68.65 -31.21 70.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.043 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 9.0 m-70 -58.28 -67.26 0.37 Allowed 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 65' ' ' HIS . 5.0 tp-100 167.72 2.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 124.354 1.033 . . . . 0.0 109.88 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 ' H ' ' H ' ' A' ' 66' ' ' GLN . 4.2 m 59.55 40.32 20.5 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.854 0.835 . . . . 0.0 109.147 -172.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.85 -40.38 24.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.763 -171.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.3 t -63.94 116.76 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.627 0.727 . . . . 0.0 111.865 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.77 -0.97 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.944 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.79 -64.12 1.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.048 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.88 -42.34 60.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -98.31 82.08 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.857 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.273 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 64.5 mtt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.679 0.276 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 3.5 tpm_? -156.33 127.72 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 25' ' ' TRP . 49.2 t -101.68 126.95 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.78 0.324 . . . . 0.0 110.344 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HE2' HD23 ' A' ' 11' ' ' LEU . 13.0 m-85 -105.67 110.6 64.37 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.58 -1.15 11.32 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.624 2.216 . . . . 0.0 111.601 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.8 152.87 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.26 -83.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.303 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.66 88.87 0.1 Allowed Pre-proline 0 N--CA 1.466 0.374 0 C-N-CA 123.217 0.607 . . . . 0.0 112.209 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -45.67 -56.84 2.52 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.497 2.798 . . . . 0.0 113.971 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 59' ' ' LEU . 93.5 mttt -71.45 -24.28 61.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.495 -175.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HE2' ' A' ' 4' ' ' PHE . 9.5 tt -71.57 -37.79 71.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 79.1 mt -59.66 -57.3 12.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 174.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 60' ' ' ILE . 73.8 t -54.6 -43.09 63.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.705 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.46 -35.29 79.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.483 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.34 -24.38 23.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 111.407 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.74 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.119 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.8 ttt-85 -71.76 -10.35 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.38 . . . . 0.0 111.078 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.2 mt -90.66 -46.34 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.687 0.756 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -100.79 11.33 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.195 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.583 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -36.5 -19.7 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -117.89 98.89 6.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.437 0.637 . . . . 0.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.3 -141.96 7.71 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.756 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 1' ' ' MET . 41.2 t -130.18 133.58 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.62 0.248 . . . . 0.0 110.43 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.5 tt -112.43 124.83 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.889 0.376 . . . . 0.0 110.06 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.451 ' HB2' HG22 ' A' ' 3' ' ' VAL . 13.7 m95 -99.53 102.19 13.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.232 0.539 . . . . 0.0 110.822 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 142.37 14.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.073 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -77.13 -22.41 52.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -89.4 -15.57 32.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.869 0.366 . . . . 0.0 111.492 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD22 HG22 ' A' ' 49' ' ' VAL . 96.2 mt -128.51 -46.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 111.445 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.7 -160.28 22.25 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 20.4 ptt180 -79.97 130.71 35.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.317 0.558 . . . . 0.0 110.447 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.1 mt -117.17 150.57 38.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.629 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -108.44 131.97 54.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.909 0.385 . . . . 0.0 110.358 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.94 143.7 33.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.157 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -136.58 136.5 39.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.692 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.6 ptpp? 47.51 31.95 2.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.905 0.882 . . . . 0.0 112.203 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.583 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 91.17 -7.38 80.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -99.01 107.31 19.7 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.055 0.931 . . . . 0.0 110.839 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 53' ' ' ILE . 39.6 m-85 -60.14 116.99 4.6 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.527 169.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.3 119.58 9.92 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.336 0.398 . . . . 0.0 110.887 -175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HD2' ' A' ' 42' ' ' PRO . 2.2 tm? -80.26 115.3 53.76 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.583 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.499 ' HD2' HD22 ' A' ' 41' ' ' LEU . 73.8 Cg_endo -80.87 126.72 5.93 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.71 2.274 . . . . 0.0 111.704 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -64.53 -62.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -88.24 91.3 8.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.48 ' HB3' ' HG2' ' A' ' 42' ' ' PRO . 15.4 p -131.66 165.14 24.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 -176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.67 142.37 65.92 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.45 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.0 -44.21 43.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.254 2.636 . . . . 0.0 113.215 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -68.77 -25.77 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 111.497 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG22 HD22 ' A' ' 29' ' ' LEU . 41.7 t -83.09 -46.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 109.649 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.38 -44.86 92.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.908 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.97 -44.91 95.75 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.441 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -60.84 -51.96 67.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 39' ' ' PHE . 72.2 mt -62.74 -47.46 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.58 -31.84 71.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.142 -178.375 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 54' ' ' LEU . 34.4 tt0 -68.35 -40.03 81.64 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.6 mt -62.33 -46.39 88.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.516 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -62.31 -40.36 96.07 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.987 0.422 . . . . 0.0 110.625 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.38 -43.93 89.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.144 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 10' ' ' LYS . 51.8 tp -59.09 -43.08 91.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.877 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 HG13 ' A' ' 13' ' ' VAL . 86.2 mt -59.72 -50.03 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.662 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 65' ' ' HIS . 21.9 mm-40 -76.55 -0.85 24.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.752 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.74 -49.62 7.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -66.02 -54.04 30.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.08 -76.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 9.5 p-80 58.03 -36.32 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.717 1.607 . . . . 0.0 114.875 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.92 0.22 28.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -172.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.6 t -72.85 -24.49 60.89 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -91.95 101.91 14.48 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 171.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.7 m -51.65 -38.58 55.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.653 0.596 . . . . 0.0 112.101 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.55 -4.04 0.79 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.973 0.509 . . . . 0.0 111.888 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.3 tp -76.04 -3.91 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.703 0.763 . . . . 0.0 109.866 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -81.85 7.37 12.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.024 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -85.68 113.43 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.02 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.3 t60 . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.85 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' ARG . 66.1 mtt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HA ' ' NH1' ' A' ' 2' ' ' ARG . 10.9 mmm180 -123.42 136.44 54.62 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.826 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.05 131.76 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.733 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -127.86 106.59 20.4 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.19 -33.28 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 111.041 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -89.43 118.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.262 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -89.53 92.41 9.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.194 0.521 . . . . 0.0 110.047 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.07 98.08 45.08 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -41.88 -53.76 3.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.895 3.063 . . . . 0.0 114.153 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -52.5 -52.0 56.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.845 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.01 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.87 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.46 -52.6 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.019 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 HG12 ' A' ' 60' ' ' ILE . 73.2 t -65.45 -41.73 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.556 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.28 -40.79 74.82 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.096 0.475 . . . . 0.0 110.616 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -79.1 -33.75 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.43 -24.18 67.27 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -61.6 -28.85 69.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.06 0.457 . . . . 0.0 110.223 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.4 mt -101.07 -40.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.981 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' THR . 35.8 m-85 -88.51 11.18 17.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.793 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.557 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.0 pp -29.16 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.7 t -119.97 96.8 5.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.822 1.192 . . . . 0.0 110.889 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.39 -175.91 45.88 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.58 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 5.4 p -124.23 135.26 64.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.275 0.559 . . . . 0.0 110.879 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.6 tt -119.96 139.81 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.008 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ARG . 2.5 t-105 -109.56 112.43 24.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.63 149.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.43 -53.61 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.57 -47.6 10.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.887 0.375 . . . . 0.0 111.914 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.05 -31.26 56.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.701 -170.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.06 -153.85 18.64 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -175.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 7.5 ptp180 -85.05 138.54 32.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.137 0.469 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.36 130.46 34.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 53.2 mt-10 -101.87 127.07 48.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE2' ' O ' ' A' ' 19' ' ' PHE . 13.9 p90 -113.45 138.24 50.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.896 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 35.3 tt0 -140.43 131.96 27.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.514 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 57.4 mttp 62.81 24.39 14.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.244 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 80.19 17.9 73.09 Favored Glycine 0 C--O 1.226 -0.371 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.097 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 38.8 mtp180 -117.68 140.19 49.99 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.17 3.76 54.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.227 -173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt 56.87 -153.08 0.37 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HA ' HG21 ' A' ' 53' ' ' ILE . 2.1 pp -157.15 148.86 17.19 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 2.7 Cg_exo -73.88 37.73 0.44 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.593 2.862 . . . . 0.0 112.905 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 43' ' ' ARG . 43.2 mtp-105 63.44 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.4 0.68 . . . . 0.0 110.338 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -156.65 128.62 7.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 p -154.14 -164.7 1.91 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.407 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.12 144.59 95.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.558 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.95 -29.98 84.48 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.942 2.428 . . . . 0.0 111.65 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.51 -47.61 66.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.039 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . 98.5 t -86.79 -44.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 54' ' ' LEU . 35.0 ttpt -59.47 -41.68 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.275 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.82 -40.24 92.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.822 0.344 . . . . 0.0 110.136 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -67.07 -42.77 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.7 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 HG21 ' HA ' ' A' ' 41' ' ' LEU . 46.4 mm -62.9 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.0 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 50' ' ' LYS . 8.9 mp -63.54 -39.89 95.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -47.37 85.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.329 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.628 ' O ' HG13 ' A' ' 60' ' ' ILE . 83.9 mt -62.97 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -64.48 -40.04 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.03 -42.0 97.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.293 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.88 -34.05 77.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.891 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 56' ' ' LEU . 88.6 mt -60.53 -56.14 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.46 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 65' ' ' HIS . 8.8 pt-20 -68.22 -13.22 62.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.254 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.22 -44.77 17.3 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.02 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.41 -27.38 41.79 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -83.81 -2.83 57.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 0.0 110.479 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 80.8 t60 -88.2 66.9 8.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.606 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -69.55 111.71 5.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.405 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 m -57.15 -33.35 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.439 -171.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.41 8.5 16.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.194 0.521 . . . . 0.0 111.127 -175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -142.67 104.86 4.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.317 0.58 . . . . 0.0 110.724 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.87 1.38 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.931 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.6 tp 62.18 41.17 10.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.071 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.54 -39.05 92.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.446 0.641 . . . . 0.0 109.531 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -102.28 119.43 38.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 m170 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.531 -175.315 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 22.3 tpt180 -152.62 132.24 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 25' ' ' TRP . 46.8 t -118.87 123.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.459 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 24' ' ' ILE . 43.8 m-85 -109.02 110.19 60.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.142 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.57 -21.04 26.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.815 2.343 . . . . 0.0 111.08 174.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.87 129.63 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.238 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.71 101.59 7.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -118.68 105.97 44.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.987 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 -62.63 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.843 3.029 . . . . 0.0 114.093 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.21 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.247 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.97 -39.27 90.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.366 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ALA . 82.7 mt -65.7 -49.61 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.514 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG13 HG12 ' A' ' 60' ' ' ILE . 76.9 t -58.9 -45.75 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.219 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -64.21 -40.13 95.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.427 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -83.81 -20.99 32.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.64 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.201 0.524 . . . . 0.0 110.116 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -62.84 -21.75 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.387 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.53 -47.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.682 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 99.2 m-85 -88.48 9.5 23.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.207 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 35' ' ' GLU . 2.3 pp -37.97 -7.44 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PHE . 3.6 t -130.09 118.22 21.18 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 119.75 1.159 . . . . 0.0 111.027 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.27 -140.98 12.24 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.362 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.72 141.38 46.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 32' ' ' LEU . 10.5 tt -121.17 122.33 67.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.308 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.541 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.8 m95 -99.85 113.51 26.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.874 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.39 139.15 21.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -90.49 -18.54 25.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.486 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.02 -48.61 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.43 -144.18 15.46 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -91.61 125.12 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.768 0.284 . . . . 0.0 110.71 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 24' ' ' ILE . 88.3 mt -115.46 123.31 48.26 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 40' ' ' LEU . 8.5 pt-20 -96.94 138.66 34.14 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -150.65 152.1 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.471 . . . . 0.0 111.497 -174.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 34.1 tt0 -143.77 133.29 23.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.265 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.843 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 5.8 mptt 63.84 20.3 12.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.958 0.503 . . . . 0.0 111.246 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.78 -0.88 84.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.234 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -98.24 109.53 22.27 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.983 0.897 . . . . 0.0 110.405 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 40.7 m-85 -58.15 127.47 32.25 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.369 -1.741 . . . . 0.0 111.208 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 9.1 mp -83.87 101.48 11.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.407 0.622 . . . . 0.0 110.089 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 50' ' ' LYS . 64.0 tp -97.61 121.77 57.2 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.719 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD2' HD12 ' A' ' 41' ' ' LEU . 34.8 Cg_exo -61.59 -171.06 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.261 2.641 . . . . 0.0 112.284 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -58.63 -51.15 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -155.82 -60.78 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m 65.0 -83.87 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.865 -175.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mm? -131.86 132.21 23.1 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 38.7 Cg_exo -58.18 -42.96 51.56 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.869 2.379 . . . . 0.0 112.26 -177.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -61.41 -36.5 80.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.243 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.99 -46.83 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.885 0.374 . . . . 0.0 110.224 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.746 ' HG3' HD21 ' A' ' 41' ' ' LEU . 65.4 tttm -64.19 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.557 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.0 -44.19 97.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.32 83.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 41' ' ' LEU . 63.6 mt -62.94 -39.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.77 -35.21 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 60' ' ' ILE . 89.9 mt -64.54 -44.11 91.85 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.101 173.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -59.44 -38.4 80.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.865 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.91 -48.85 77.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.003 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.37 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.583 HG12 HG13 ' A' ' 13' ' ' VAL . 90.8 mt -57.78 -55.39 21.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.25 -41.02 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.541 0.525 . . . . 0.0 111.013 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.54 -55.62 12.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.525 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -71.82 -19.43 61.98 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.702 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.41 -28.73 37.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -83.07 -66.11 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.525 ' NE2' ' HE3' ' A' ' 68' ' ' LYS . 37.2 tt0 -177.83 147.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 t -86.74 -9.36 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.41 . . . . 0.0 110.669 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' HE3' ' NE2' ' A' ' 66' ' ' GLN . 51.2 mtmt -94.48 168.5 10.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -72.19 -26.55 62.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.084 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB2' ' OE1' ' A' ' 66' ' ' GLN . . . 69.35 -73.52 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.972 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -109.05 -168.78 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -175.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -121.08 64.46 0.87 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.849 0.833 . . . . 0.0 108.882 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -60.39 97.01 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.682 172.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.575 -177.124 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.7 mpt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.21 113.33 25.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.878 0.37 . . . . 0.0 110.432 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 47.8 t -87.51 127.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.88 102.34 51.31 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.272 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -68.64 -10.06 27.94 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.257 2.638 . . . . 0.0 112.165 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.9 130.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -77.62 93.22 4.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.946 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -111.21 91.57 13.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.689 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 1.2 Cg_endo -44.62 -65.28 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 124.22 3.28 . . . . 0.0 114.106 -171.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' HD21 ' A' ' 59' ' ' LEU . 95.1 mttt -67.3 -25.05 65.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.716 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.32 -41.9 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.328 . . . . 0.0 110.217 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 8' ' ' ALA . 87.0 mt -57.28 -48.63 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.524 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.22 -37.46 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -62.73 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -26.11 67.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -58.87 -27.58 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 111.465 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -100.97 -39.62 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.503 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -86.36 8.88 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.386 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -28.83 -38.16 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -172.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.566 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 6.2 t -117.52 95.68 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.826 0.822 . . . . 0.0 110.104 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.25 -164.44 28.56 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.639 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 1' ' ' MET . 38.7 t -124.2 127.2 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.424 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 ' HE2' ' A' ' 39' ' ' PHE . 12.6 tt -117.73 149.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -130.22 97.17 4.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 109.926 -179.167 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.6 t -91.75 149.36 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 23.5 ttpp -62.41 -46.41 88.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.114 0.483 . . . . 0.0 111.439 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.62 -3.25 58.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.077 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 49' ' ' VAL . 77.0 mt -118.4 -56.51 2.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 0.0 111.055 -175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 25' ' ' TRP . . . 112.28 -150.39 18.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.617 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 31' ' ' ARG . 7.8 ttp180 -75.9 119.73 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.74 0.305 . . . . 0.0 110.993 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 96.5 mt -125.63 111.98 15.61 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 23' ' ' VAL . 43.6 mt-10 -94.76 105.31 17.24 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -109.03 155.48 20.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.152 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.585 ' HG3' ' HG2' ' A' ' 36' ' ' LYS . 10.0 tp10 -143.1 142.73 31.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.842 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 68.7 mmtt 63.3 16.71 9.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.444 0.697 . . . . 0.0 110.84 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.87 4.35 87.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.969 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 38' ' ' ARG . 28.4 mtp85 -114.12 133.45 55.56 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.218 1.008 . . . . 0.0 110.298 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.655 ' HE2' HG21 ' A' ' 24' ' ' ILE . 59.3 m-85 -85.05 126.67 33.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.302 -171.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.54 143.13 35.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.157 177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.567 HD12 ' HD2' ' A' ' 42' ' ' PRO . 60.5 tp -98.78 123.54 49.21 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD2' HD12 ' A' ' 41' ' ' LEU . 50.9 Cg_exo -55.93 163.24 6.03 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.892 2.395 . . . . 0.0 111.666 172.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -61.13 98.4 0.08 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.291 -177.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 72.13 -51.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.716 0.807 . . . . 0.0 110.426 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 t 67.49 -165.77 0.21 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.347 171.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.81 151.29 39.33 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -43.75 -55.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.838 3.025 . . . . 0.0 114.068 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -65.19 -30.44 71.35 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.354 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' HA ' HD22 ' A' ' 29' ' ' LEU . 25.5 t -76.69 -46.39 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.63 -43.44 98.84 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.923 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.06 -45.95 86.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.838 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.71 -42.69 97.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.789 -175.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.05 -46.17 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.33 -29.97 66.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.765 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.67 -45.94 87.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.3 mt -61.68 -42.08 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -54.82 -50.28 68.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.124 0.487 . . . . 0.0 110.292 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.65 -43.24 99.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 10' ' ' LYS . 31.9 tp -61.06 -36.33 79.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.371 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 56' ' ' LEU . 85.9 mt -59.73 -47.33 91.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' HIS . 26.5 mm-40 -71.71 -8.37 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.562 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.38 19.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -85.95 -28.94 23.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.255 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -97.54 5.39 49.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.643 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 3.5 t-80 -85.45 -12.02 52.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.484 -173.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 72.77 -62.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.759 0.662 . . . . 0.0 110.954 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -131.89 147.1 52.45 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -129.95 -42.7 1.24 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.726 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.2 t -150.71 99.6 2.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 110.69 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.77 -49.4 6.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.917 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.39 57.82 0.73 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.15 7.59 5.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.824 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 70.17 -55.68 0.6 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.599 0.759 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 m170 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.495 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.648 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 63.3 ttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -109.39 152.58 25.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -106.07 137.21 37.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' HE2' HD22 ' A' ' 11' ' ' LEU . 40.4 m-85 -123.8 95.08 45.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -78.12 -18.36 12.86 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.191 2.594 . . . . 0.0 112.334 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.5 -31.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.367 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 t80 62.67 91.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.477 0.656 . . . . 0.0 110.596 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -119.13 104.55 46.04 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.886 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -45.57 -60.94 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.7 2.933 . . . . 0.0 114.115 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.55 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.139 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD22 ' HE2' ' A' ' 4' ' ' PHE . 2.3 tt -60.94 -45.6 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.86 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 71.6 mt -65.14 -50.76 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.86 -46.59 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.499 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -63.99 -38.36 90.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.219 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.4 -28.28 52.66 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.023 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.37 66.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.03 -35.97 74.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.097 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -90.61 -38.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.945 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -82.27 12.32 4.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.583 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' LYS . 12.7 tp -23.94 -43.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.984 1.714 . . . . 0.0 114.95 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 5.1 t -125.01 79.94 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.0 0.905 . . . . 0.0 110.419 170.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.79 -173.37 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.439 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 1' ' ' MET . 26.9 t -125.64 136.78 59.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.454 0.645 . . . . 0.0 111.413 -176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -127.4 124.58 64.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.813 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 31' ' ' ARG . 2.2 t-105 -95.31 110.95 22.89 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 t -102.95 151.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -75.91 -6.29 50.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.0 -45.06 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.566 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 32' ' ' LEU . 60.3 mt -112.37 -11.33 13.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.778 0.323 . . . . 0.0 111.573 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -149.92 19.99 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.347 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 13.6 ptt180 -81.73 120.78 25.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.216 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 29' ' ' LEU . 95.9 mt -111.86 116.82 31.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.07 135.86 38.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 3.6 p90 -132.16 150.34 52.18 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.43 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 29.9 tt0 -135.64 125.35 25.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.889 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.607 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 mmmm 55.86 42.48 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.807 177.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.3 61.98 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.025 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -96.85 124.11 40.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.436 0.636 . . . . 0.0 110.342 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 12.6 m-85 -74.43 2.42 9.53 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.84 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt 59.29 -158.43 0.31 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.891 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 3.9 pp -149.74 125.24 4.94 Favored Pre-proline 0 N--CA 1.446 -0.662 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 6.8 Cg_exo -72.77 109.3 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.934 2.423 . . . . 0.0 110.918 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 43' ' ' ARG . 45.3 ttm105 -64.53 -26.9 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.908 -172.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -20.22 22.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.764 0.316 . . . . 0.0 111.793 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 42' ' ' PRO . 47.5 m -156.84 106.41 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.267 -0.271 . . . . 0.0 110.961 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.657 ' H ' ' CD ' ' A' ' 47' ' ' PRO . 3.5 pp -131.85 -22.12 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.803 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.657 ' CD ' ' H ' ' A' ' 46' ' ' LEU . 91.2 Cg_exo -47.51 -40.54 29.71 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.719 1.65 . . . . 0.0 113.217 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -82.58 -38.25 23.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.342 0.591 . . . . 0.0 110.622 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.621 ' HA ' HD22 ' A' ' 29' ' ' LEU . 20.8 t -79.01 -41.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.738 -168.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.533 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 64.2 tttm -63.36 -24.73 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.119 -177.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.99 -51.04 61.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.037 0.446 . . . . 0.0 109.855 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -72.05 -36.46 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.624 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' A' ' 50' ' ' LYS . 29.9 mt -56.67 -42.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.33 -42.91 99.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.65 -49.1 78.87 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.855 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 60' ' ' ILE . 86.5 mt -66.38 -47.45 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.835 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' ND2' HG23 ' A' ' 53' ' ' ILE . 25.2 m-80 -66.73 -35.3 79.78 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -176.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.98 -43.14 99.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.513 0.673 . . . . 0.0 109.205 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.46 -38.21 90.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.619 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.4 mt -60.58 -58.22 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 14.7 pt-20 -64.95 -25.4 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.36 -47.22 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -74.54 -38.33 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.302 0.572 . . . . 0.0 110.498 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 11.3 t30 -64.21 -20.76 66.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.154 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.57 -57.03 13.69 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 72.56 -41.05 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.821 0.848 . . . . 0.0 113.28 170.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -60.37 99.63 0.08 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.106 0.479 . . . . 0.0 112.128 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 68' ' ' LYS . 8.0 tmtt? -154.09 -52.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 172.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -62.59 -29.19 70.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.817 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.54 121.15 14.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.4 tp -96.31 131.9 42.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 -174.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 55.37 68.46 0.86 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.953 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.61 -36.03 77.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 172.549 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.67 0.271 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.571 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 2.3 mmp_? -141.66 143.05 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.517 176.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 25' ' ' TRP . 57.9 t -128.33 132.6 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.708 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CD1' HD11 ' A' ' 24' ' ' ILE . 52.1 m-85 -124.96 106.89 28.59 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 4.1 Cg_exo -75.49 8.38 2.63 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 123.193 2.596 . . . . 0.0 112.348 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.25 139.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 36.6 t80 -81.4 93.86 6.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.209 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.64 96.25 16.89 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.42 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -45.6 -56.2 2.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.661 2.908 . . . . 0.0 113.969 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -57.95 -40.58 80.9 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.57 -38.7 87.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.458 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 24' ' ' ILE . 91.4 mt -62.14 -52.25 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 177.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 HG12 ' A' ' 60' ' ' ILE . 83.5 t -61.15 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.513 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -63.37 -28.15 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.09 -27.88 22.86 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.567 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.67 63.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -50.74 -35.28 30.72 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.524 0.678 . . . . 0.0 110.94 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -101.08 -37.44 5.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' THR . 58.3 m-85 -96.3 10.17 38.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.486 -171.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 1.7 pp -52.29 5.16 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -171.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' PHE . 9.6 t -136.07 41.14 2.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.765 0.711 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.42 -143.75 4.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.183 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.96 139.78 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 110.694 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 4' ' ' PHE . 11.5 tt -128.24 130.28 69.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.442 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.4 m0 -104.96 99.34 8.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.648 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.4 t -92.62 141.84 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 34.3 ttpt -67.55 -45.94 74.2 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.906 0.384 . . . . 0.0 111.401 -174.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 7.3 m-20 -80.94 -15.03 57.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.535 -175.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 94.9 mt -107.83 -63.96 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.791 0.329 . . . . 0.0 111.033 -177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.28 -157.34 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.873 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -78.98 112.03 15.77 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.92 127.03 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.763 0.316 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -104.24 135.15 46.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.862 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -137.12 141.17 42.28 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 -177.548 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 32.9 tt0 -128.66 121.79 29.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.486 -173.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 32.1 mmmt 60.28 28.32 17.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.813 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 89.82 -9.35 77.52 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.68 -177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -88.94 114.32 25.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.679 0.752 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.85 120.2 25.35 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.371 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.99 122.06 18.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.966 0.412 . . . . 0.0 110.938 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD22 ' HD2' ' A' ' 42' ' ' PRO . 3.4 tm? -101.15 114.73 65.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.653 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.737 ' HD2' HD22 ' A' ' 41' ' ' LEU . 29.3 Cg_endo -63.86 116.5 3.72 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.666 2.244 . . . . 0.0 112.016 177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.19 123.68 18.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 62.23 85.22 0.13 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.962 0.789 . . . . 0.0 110.857 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.9 t -145.79 -171.55 3.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.538 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.84 127.55 89.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 26.5 Cg_endo -63.21 -29.17 73.42 Favored 'Trans proline' 0 CA--C 1.521 -0.14 0 C-N-CA 122.929 2.419 . . . . 0.0 112.118 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.41 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.25 -40.28 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.6 ' HA ' HD21 ' A' ' 41' ' ' LEU . 63.4 tttp -55.28 -56.02 24.77 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.071 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 2.1 mp0 -67.11 -30.27 70.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.124 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -61.07 -47.99 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.708 ' HB ' HD23 ' A' ' 41' ' ' LEU . 67.4 mt -66.14 -35.95 76.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.398 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 50' ' ' LYS . 6.9 mp -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 174.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 73.4 mm-40 -58.78 -39.55 81.38 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.756 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 72.2 mt -63.55 -46.82 84.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.486 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -66.37 -37.76 86.02 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.571 0.7 . . . . 0.0 109.411 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -42.65 90.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.65 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.39 -34.58 78.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.201 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG12 HG13 ' A' ' 13' ' ' VAL . 83.8 mt -59.92 -45.93 94.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.39 -28.72 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.483 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -78.14 -11.22 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.074 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 59.1 t30 -74.22 -24.89 59.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.448 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -125.07 77.5 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.732 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -124.92 -173.9 2.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.078 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.8 p -64.6 147.27 53.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.528 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -83.58 111.27 18.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.059 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 m 59.41 88.15 0.07 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.337 0.589 . . . . 0.0 111.53 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.71 -29.25 56.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.698 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.8 53.07 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.9 -26.77 64.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.061 0.458 . . . . 0.0 110.037 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -95.01 131.08 41.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.478 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.0 m170 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.511 -176.23 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -98.48 131.22 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.983 0.421 . . . . 0.0 111.657 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.574 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 35.4 m -86.15 144.17 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.027 173.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -119.9 95.21 49.09 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.348 . . . . 0.0 110.611 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.27 0.09 9.79 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.113 2.542 . . . . 0.0 111.696 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.05 122.46 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.064 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -87.19 97.7 10.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -123.77 103.14 34.48 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.187 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 5.6 Cg_exo -42.54 -68.16 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.1 3.2 . . . . 0.0 113.831 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.698 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -26.05 66.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.23 -175.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.698 HD22 ' HG2' ' A' ' 10' ' ' LYS . 4.0 mm? -75.18 -53.47 8.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.588 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.62 -50.4 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.729 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 60' ' ' ILE . 39.5 t -62.02 -48.93 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.041 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -70.19 -27.14 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.831 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -78.07 -32.9 50.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 110.553 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -20.22 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.037 0.446 . . . . 0.0 110.536 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.58 -29.79 69.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.148 0.499 . . . . 0.0 110.15 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.64 -43.6 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -81.82 9.51 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.627 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 4.2 pp -32.77 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.4 t -121.07 99.74 6.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.494 0.588 . . . . 0.0 110.373 176.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.73 -159.38 29.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.158 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.2 t -132.39 131.14 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.236 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.0 tt -120.15 131.27 72.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.955 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 3' ' ' VAL . 13.0 m95 -102.11 89.29 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.197 0.523 . . . . 0.0 110.267 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.8 t -76.56 149.0 6.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.365 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 5' ' ' PRO . 6.0 tppp? -68.48 -57.4 5.88 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 0.0 111.194 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.42 -23.31 53.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.489 -173.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 89.5 mt -101.9 -82.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.74 -150.95 22.82 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.046 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 31' ' ' ARG . 43.7 ttp180 -77.23 107.89 9.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 24' ' ' ILE . 96.7 mt -115.69 133.84 55.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.354 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -108.94 136.12 49.0 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -140.94 140.41 34.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -176.673 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.3 tt0 -133.63 130.07 37.78 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.296 -175.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 94.0 mttt 63.44 24.15 14.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.911 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.07 -9.38 76.59 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.5 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -98.51 105.73 17.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.936 0.874 . . . . 0.0 110.289 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 4.8 m-85 -57.74 124.8 20.4 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.103 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.96 94.92 6.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.6 pt? -75.51 168.89 23.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.195 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 41' ' ' LEU . 53.2 Cg_exo -57.0 178.23 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.824 2.349 . . . . 0.0 112.574 174.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -56.15 -49.54 73.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.116 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 14.7 ptmt -119.71 -24.12 6.3 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.3 173.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t 73.27 165.17 0.29 Allowed 'General case' 0 CA--C 1.529 0.169 0 O-C-N 123.821 0.7 . . . . 0.0 111.289 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.93 153.09 49.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.517 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -43.04 -59.22 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.322 2.682 . . . . 0.0 113.611 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -63.75 -42.7 97.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.968 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 53' ' ' ILE . 42.4 t -64.92 -42.34 94.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.825 -176.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.376 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -59.09 -39.84 83.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -69.8 -43.27 72.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG13 ' HB3' ' A' ' 41' ' ' LEU . 44.9 mm -60.66 -48.5 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.637 0.256 . . . . 0.0 110.854 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -39.33 93.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -58.63 -51.57 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.275 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 60' ' ' ILE . 74.5 mt -62.55 -44.87 95.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.016 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -40.18 94.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.52 -49.97 71.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.222 0.534 . . . . 0.0 109.736 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 13' ' ' VAL . 29.6 tp -57.58 -34.35 69.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.274 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.1 mt -57.28 -54.83 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 121.035 0.445 . . . . 0.0 109.828 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.63 -31.17 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.149 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.43 85.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.287 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.642 ' HA ' HG22 ' A' ' 67' ' ' THR . 77.8 mt-30 -69.69 -29.12 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.832 0.349 . . . . 0.0 110.823 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.67 -0.84 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.65 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -132.59 -66.08 0.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.833 0.349 . . . . 0.0 111.227 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -55.75 -60.65 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.689 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 63' ' ' GLN . 10.3 t -102.36 26.95 7.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 110.996 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -64.41 -34.37 78.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.183 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.2 p -93.65 137.91 32.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 85.19 3.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD23 ' H ' ' A' ' 71' ' ' LEU . 2.7 pt? -68.53 132.96 47.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.873 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 66.77 21.57 10.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.664 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -82.8 -24.99 33.14 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 124.345 1.058 . . . . 0.0 113.466 173.422 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -143.84 141.79 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.917 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -107.98 141.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.938 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -118.39 105.03 47.01 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.12 1.4 8.97 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.197 2.598 . . . . 0.0 111.379 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -133.58 133.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.303 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -94.49 96.8 9.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.93 0.395 . . . . 0.0 109.99 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.19 100.54 15.46 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.038 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.16 -59.03 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.689 2.926 . . . . 0.0 113.775 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -62.58 -30.41 71.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.62 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.1 tp -72.89 -48.47 37.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.999 0.428 . . . . 0.0 109.992 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.32 -49.17 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.95 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG21 HD23 ' A' ' 59' ' ' LEU . 74.9 t -58.55 -48.09 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 123.302 0.376 . . . . 0.0 111.433 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -65.13 -38.33 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -76.27 -33.08 59.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.61 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.337 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.44 178.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -93.02 -27.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.561 0.696 . . . . 0.0 110.449 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.06 10.02 41.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.348 -174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' THR . 3.5 pp -29.5 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -172.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' HD12 ' A' ' 20' ' ' LEU . 5.4 t -120.01 98.07 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.1 0.864 . . . . 0.0 109.993 170.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.92 33.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.804 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.78 122.94 69.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.619 0.247 . . . . 0.0 110.919 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 tt -118.66 145.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.17 106.94 12.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.798 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 t -95.26 155.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.52 -54.72 31.86 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.898 0.38 . . . . 0.0 111.578 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.73 -45.53 15.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.688 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.24 -27.97 42.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.703 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.5 -155.19 24.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.241 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 31' ' ' ARG . 10.2 ttp180 -75.79 121.1 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.381 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -122.5 140.36 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.008 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -105.45 137.27 43.55 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 1.3 p90 -133.53 142.58 48.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.994 0.426 . . . . 0.0 110.354 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -127.7 121.34 30.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.671 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 64.45 27.35 13.54 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.485 0.49 . . . . 0.0 110.728 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.12 -17.02 58.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.538 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -80.26 104.3 10.72 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.652 0.739 . . . . 0.0 110.33 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 30.0 m-85 -59.35 118.31 5.82 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.612 172.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.45 121.22 38.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.976 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.663 ' HB3' HG13 ' A' ' 53' ' ' ILE . 3.6 pp -76.09 138.69 68.68 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.819 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.773 ' HD2' HG11 ' A' ' 49' ' ' VAL . 59.5 Cg_endo -73.61 168.5 24.61 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.703 2.268 . . . . 0.0 111.724 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -93.82 24.32 4.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.473 0.654 . . . . 0.0 110.201 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.05 130.6 23.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.233 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' HD2' ' A' ' 47' ' ' PRO . 54.6 m 68.51 12.33 8.67 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.441 0.639 . . . . 0.0 110.788 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.664 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 2.2 pt? -58.57 -28.34 4.54 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -176.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' C ' ' A' ' 45' ' ' SER . 71.4 Cg_exo -43.83 -40.77 11.58 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 121.489 1.568 . . . . 0.0 113.046 173.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.01 -33.13 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.765 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.773 HG11 ' HD2' ' A' ' 42' ' ' PRO . 95.1 t -68.89 -43.86 82.1 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.27 -175.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HA ' HD22 ' A' ' 41' ' ' LEU . 59.8 tttm -56.68 -46.53 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.798 0.332 . . . . 0.0 110.58 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -60.05 -45.42 92.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.369 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.16 80.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.969 0.414 . . . . 0.0 111.241 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.663 HG13 ' HB3' ' A' ' 41' ' ' LEU . 28.9 mm -65.87 -40.01 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.438 177.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.27 -35.0 78.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.415 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.28 -50.12 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.9 0.381 . . . . 0.0 110.513 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 60' ' ' ILE . 97.3 mt -61.36 -46.82 88.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -65.16 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.76 -41.01 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 109.542 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 13' ' ' VAL . 59.1 tp -58.28 -41.72 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.306 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -59.19 -46.41 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.218 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.52 -42.49 92.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.067 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.46 83.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.496 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -73.13 -18.91 61.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 0.0 110.283 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -87.89 -53.25 4.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.53 -177.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.29 -7.48 57.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.339 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 68.1 179.4 0.23 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.801 0.688 . . . . 0.0 110.466 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 p -92.32 3.31 55.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.897 0.379 . . . . 0.0 111.777 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -101.32 124.32 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.419 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.5 p 49.43 40.78 19.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.813 0.696 . . . . 0.0 112.066 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.57 -43.84 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.22 92.44 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.097 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -127.75 35.12 4.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.999 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 72.18 -67.22 0.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.942 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 57.1 m80 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 110.324 -179.027 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -138.06 116.65 12.13 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.16 136.17 48.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 110.944 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -127.15 103.17 23.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.307 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.44 -5.44 17.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.088 2.526 . . . . 0.0 112.142 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.28 146.36 34.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.327 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -88.21 100.99 13.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 0.0 110.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.77 94.94 30.43 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.44 -62.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.736 2.957 . . . . 0.0 113.939 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HA ' HD21 ' A' ' 59' ' ' LEU . 67.3 mttm -59.41 -38.53 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.07 -50.53 65.81 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.17 -49.24 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 HD23 ' A' ' 59' ' ' LEU . 38.7 t -64.13 -42.51 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.073 -177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -75.76 -31.44 59.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.29 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.23 -29.88 70.72 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.15 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -10.51 59.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.7 -51.2 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.385 0.612 . . . . 0.0 110.446 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' THR . 75.4 m-85 -93.26 11.82 26.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.597 -173.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 36' ' ' LYS . 1.3 pp -28.69 -28.15 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -172.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . 6.8 t -116.16 106.86 14.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 119.408 1.003 . . . . 0.0 110.802 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.9 23.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.586 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.69 125.24 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 122.521 0.329 . . . . 0.0 110.277 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' HB ' ' CE1' ' A' ' 34' ' ' PHE . 12.4 tt -119.16 144.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -128.07 106.37 9.02 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 t -102.51 154.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.977 0.418 . . . . 0.0 111.07 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.37 -39.66 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.775 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.99 -14.65 19.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.947 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 -150.86 32.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.068 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -83.81 134.79 34.7 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.8 mt -135.73 124.42 23.8 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.56 101.54 12.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 4.1 p90 -101.12 124.46 46.87 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.4 tt0 -129.34 117.35 20.49 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.573 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' A' ' 20' ' ' LEU . 44.7 mtmt 62.91 31.63 16.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.283 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.546 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 93.36 -4.53 73.71 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.902 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -103.24 121.96 43.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.711 0.767 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.18 13.32 9.72 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.093 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.1 mt 63.59 -173.04 0.16 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.092 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.82 50.3 0.32 Allowed Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.23 -179.88 5.86 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.346 2.03 . . . . 0.0 112.938 -173.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HG2' ' H ' ' A' ' 44' ' ' LYS . 51.2 ttt180 -125.38 -145.01 0.32 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.507 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 93.9 mttt 62.76 25.75 15.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.206 0.527 . . . . 0.0 110.514 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -149.18 -167.46 2.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.635 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -77.5 137.25 63.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.584 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.48 -36.82 81.23 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.013 2.475 . . . . 0.0 112.352 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -35.99 70.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 53' ' ' ILE . 62.2 t -62.91 -47.91 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.93 -37.37 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.366 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.3 -38.35 86.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.961 0.41 . . . . 0.0 110.435 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -65.86 -38.43 88.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.507 177.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' VAL . 82.6 mt -58.3 -45.08 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.303 175.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.84 -48.06 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.646 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.86 -43.49 98.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.584 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 52' ' ' ALA . 60.0 mt -65.29 -47.17 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.502 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -66.73 -32.18 73.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD23 HG21 ' A' ' 13' ' ' VAL . 52.0 tp -57.55 -43.5 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.551 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.505 HG12 HG13 ' A' ' 13' ' ' VAL . 86.7 mt -61.26 -50.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.807 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.62 -31.1 69.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.957 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.99 86.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.361 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -70.71 -37.91 73.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.649 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.94 -41.13 91.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.248 0.547 . . . . 0.0 110.373 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -90.74 44.91 1.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.617 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -73.47 -17.45 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -76.02 144.23 40.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.874 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -96.99 -34.28 11.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 110.096 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 p -72.8 104.46 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 73' ' ' HIS . . . -129.6 -23.92 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.953 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp 69.31 -71.35 0.12 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.802 0.689 . . . . 0.0 111.053 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -75.18 -10.3 59.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 7.5 p-80 59.77 -43.12 0.09 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.282 1.833 . . . . 0.0 115.178 174.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 123.395 0.678 . . . . 0.0 111.5 -177.415 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 27.6 ttt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 24.5 mmt180 -140.45 133.31 29.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 25' ' ' TRP . 72.1 t -103.24 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.851 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -95.93 116.24 66.09 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.007 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.85 2.09 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.8 2.334 . . . . 0.0 111.754 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.02 152.78 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.103 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -102.66 93.23 4.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.939 0.4 . . . . 0.0 110.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -126.07 92.27 46.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -48.27 -56.26 3.29 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.708 2.939 . . . . 0.0 113.898 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.05 -40.77 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.788 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.66 -45.16 95.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 110.539 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ALA . 77.2 mt -57.81 -45.08 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' A' ' 63' ' ' GLN . 75.1 t -62.23 -44.4 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.257 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -66.5 -34.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.148 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -68.49 -41.36 80.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.446 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -29.93 68.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.846 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.923 0.392 . . . . 0.0 111.015 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.0 -39.27 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.089 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.01 11.47 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.884 -172.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 21' ' ' THR . 4.0 pp -29.2 -33.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.466 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -109.91 97.79 7.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 0.0 109.979 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.25 -175.59 44.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.373 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 1' ' ' MET . 60.7 t -124.49 134.97 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 0.0 110.662 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 32' ' ' LEU . 9.5 tt -119.02 138.02 51.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.2 t90 -121.6 107.09 11.98 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.75 148.22 6.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.36 -30.38 67.29 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.033 0.444 . . . . 0.0 110.846 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.48 -58.09 3.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 49' ' ' VAL . 73.8 mt -84.76 -49.84 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.983 -172.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.23 -149.43 16.84 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -86.19 131.6 34.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -130.57 114.17 15.14 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.77 119.41 36.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 109.988 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 13.8 p90 -117.87 145.97 44.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -176.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 15.8 tp10 -137.57 134.23 35.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.104 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 60.4 mttm 64.31 17.53 10.79 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.351 0.407 . . . . 0.0 110.886 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -6.41 83.68 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.017 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -94.73 119.24 33.03 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.016 0.913 . . . . 0.0 110.06 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 16.8 m-85 -74.58 115.25 13.92 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.859 -1.518 . . . . 0.0 111.166 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.28 147.74 43.02 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 1.004 ' HB2' ' HB2' ' A' ' 45' ' ' SER . 37.1 Cg_exo -58.21 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.693 2.262 . . . . 0.0 111.007 172.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -61.18 -24.62 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.962 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -137.04 96.86 3.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 0.0 109.857 169.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.004 ' HB2' ' HB2' ' A' ' 42' ' ' PRO . 13.8 t -136.64 -161.42 1.16 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.252 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 96.7 mt -92.64 139.66 23.67 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 51.0 Cg_exo -54.94 -31.4 73.6 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.374 2.716 . . . . 0.0 113.054 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.88 -44.55 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.71 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' HA ' HD22 ' A' ' 29' ' ' LEU . 54.3 t -65.14 -45.97 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.347 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 58.3 mtpt -60.48 -40.85 92.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.39 -47.97 82.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.833 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 49' ' ' VAL . 80.3 mt -63.59 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 79.1 mt -64.7 -37.85 88.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.994 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.91 -42.9 99.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.12 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 60' ' ' ILE . 84.8 mt -64.97 -43.98 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.918 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -58.08 -40.54 81.36 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.69 -50.79 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.445 0.641 . . . . 0.0 110.001 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 40.4 tp -60.08 -38.9 84.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.121 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.0 mt -57.96 -48.37 84.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.512 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.125 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.61 98.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 13' ' ' VAL . 17.6 mm-40 -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.103 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.22 -6.04 58.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.996 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -105.5 -45.34 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 59.34 88.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.585 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -82.4 -6.75 59.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.886 0.85 . . . . 0.0 108.953 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -76.07 132.46 40.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.778 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.4 p 56.15 -176.97 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.11 0.964 . . . . 0.0 112.4 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.85 0.29 15.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.058 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 mt 58.47 58.47 3.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -98.73 33.6 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.975 -173.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -138.0 -95.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.513 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 C--N 1.33 -0.263 0 C-N-CA 120.164 -0.615 . . . . 0.0 111.77 -178.33 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -137.04 144.21 43.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.932 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 25' ' ' TRP . 53.9 t -106.44 132.37 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.802 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.46 107.03 43.64 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.001 0.429 . . . . 0.0 111.057 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.73 -6.64 17.05 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.029 2.486 . . . . 0.0 111.099 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.68 134.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.894 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -92.83 98.43 11.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.697 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -116.57 94.88 44.59 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.093 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 2.4 Cg_endo -46.72 -62.31 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.826 3.017 . . . . 0.0 113.488 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 59' ' ' LEU . 23.6 mmmt -53.92 -45.43 71.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.416 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -67.48 -47.61 69.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.69 -52.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 HG12 ' A' ' 60' ' ' ILE . 98.9 t -66.04 -36.86 78.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.343 -178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.05 -46.82 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.388 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.745 -176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.29 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 6.4 tmm_? -65.72 -23.41 66.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -98.38 -35.78 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.486 0.66 . . . . 0.0 110.43 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.3 m-85 -93.51 12.18 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.227 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -29.31 -22.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.468 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.7 t -111.89 100.64 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 119.188 0.903 . . . . 0.0 110.325 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.4 -166.15 39.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 t -127.64 140.4 49.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.63 0.252 . . . . 0.0 110.343 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 tt -125.29 127.63 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.889 0.376 . . . . 0.0 110.146 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB2' HG22 ' A' ' 3' ' ' VAL . 14.5 m95 -99.67 88.03 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.101 0.477 . . . . 0.0 110.953 -176.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.24 147.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -41.04 69.69 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -171.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -73.79 -46.56 44.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 32' ' ' LEU . 84.2 mt -90.44 -29.65 17.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.488 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.39 -154.24 18.98 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.796 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -72.15 120.57 17.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.747 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 29' ' ' LEU . 94.2 mt -115.41 114.15 24.7 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.63 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -93.5 139.22 30.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.116 0.484 . . . . 0.0 109.832 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.74 147.87 38.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.4 tt0 -144.51 144.88 31.56 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 176.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 22.8 mttp 66.15 16.57 10.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.575 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.65 5.14 89.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.813 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -115.46 111.92 21.5 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 122.311 1.053 . . . . 0.0 110.607 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.05 133.26 43.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.022 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -77.76 107.87 10.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.598 -177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -80.83 115.52 56.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.117 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.28 91.41 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.632 2.221 . . . . 0.0 112.802 -177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 64.51 -85.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 19.2 ptpt -126.65 -10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.297 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.532 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . 11.2 t 62.53 -175.67 0.14 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.64 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.51 152.59 38.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.06 -59.86 0.73 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.568 2.845 . . . . 0.0 113.96 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -59.85 -49.54 77.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.387 0.613 . . . . 0.0 110.846 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.27 -46.7 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.907 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 45' ' ' SER . 87.0 tttt -64.89 -41.86 95.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -59.63 -47.85 83.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.704 0.288 . . . . 0.0 110.871 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -62.01 -50.51 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.49 -42.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.988 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.71 92.54 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.055 0.455 . . . . 0.0 110.603 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.32 -33.27 71.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.295 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.6 mt -66.19 -43.24 87.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 174.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.528 ' HA ' HD12 ' A' ' 60' ' ' ILE . 93.1 m-20 -58.17 -39.69 79.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.89 -43.22 85.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.888 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 10' ' ' LYS . 47.8 tp -67.12 -36.79 82.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.852 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 56' ' ' LEU . 74.5 mt -63.42 -49.09 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 110.539 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.8 mm-40 -68.09 -23.7 64.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.78 76.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.112 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.37 -31.41 65.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -70.58 -24.36 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.218 0.532 . . . . 0.0 110.255 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.833 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -79.83 97.2 6.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.108 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.5 m -80.76 99.98 8.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.795 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -76.06 -83.43 0.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -174.33 173.26 3.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.192 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.53 175.94 10.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.179 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.2 tp -71.73 99.0 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.128 0.489 . . . . 0.0 110.694 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -106.86 16.96 23.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.663 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.71 149.96 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.532 -177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.3 p80 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.939 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 ttm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.709 0.29 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -95.0 129.87 41.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.76 119.33 57.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -116.82 109.1 43.57 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.85 -21.8 18.25 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.618 2.212 . . . . 0.0 111.759 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 m -104.68 130.48 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.945 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.41 97.65 10.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.457 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.28 96.47 28.02 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.98 -53.74 6.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.711 2.941 . . . . 0.0 113.293 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 59' ' ' LEU . 4.1 tppp? -50.35 -53.42 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.6 . . . . 0.0 111.494 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.11 -53.93 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.733 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 HG12 ' A' ' 60' ' ' ILE . 94.0 t -66.84 -37.66 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.24 -36.38 79.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -90.5 -13.06 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.81 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.38 64.14 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -64.04 -21.04 66.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.789 0.328 . . . . 0.0 111.636 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.98 -44.79 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.059 0.457 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.85 10.55 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 21' ' ' THR . 3.2 pp -32.96 -29.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 20' ' ' LEU . 1.8 t -114.37 106.27 14.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.078 0.399 . . . . 0.0 109.983 172.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.29 -150.1 15.55 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.748 -1.215 . . . . 0.0 113.136 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.68 135.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.377 0.608 . . . . 0.0 110.932 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.2 tt -123.38 140.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.901 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -114.8 111.59 21.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.19 152.88 5.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -72.01 -52.28 17.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.71 -48.67 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.28 -58.69 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.6 -152.05 20.14 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -87.18 128.27 35.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 24' ' ' ILE . 87.7 mt -117.65 144.02 45.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.42 . . . . 0.0 110.853 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -118.63 129.73 55.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.711 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -144.47 144.39 31.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 111.527 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 41.4 tt0 -134.2 136.9 44.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.134 175.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 97.8 mttt 65.56 20.45 11.65 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.16 0.505 . . . . 0.0 110.21 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.74 -14.34 58.63 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.199 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -94.14 123.71 37.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.155 0.979 . . . . 0.0 110.812 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -74.75 130.78 40.09 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.53 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.73 156.73 20.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.353 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.5 tp -131.69 110.77 14.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.639 0.256 . . . . 0.0 111.071 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.84 173.74 2.09 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.834 2.356 . . . . 0.0 111.923 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -44.39 -64.95 0.58 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -114.36 -48.65 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.701 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m 61.17 -163.97 0.25 Allowed 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.699 0.624 . . . . 0.0 110.797 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 49' ' ' VAL . 6.8 mp -94.43 142.02 24.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -47.98 -53.25 6.91 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.172 2.581 . . . . 0.0 113.185 -176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -60.75 -37.47 81.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 46' ' ' LEU . 43.5 t -72.17 -44.51 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.689 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 85.5 tttt -60.57 -45.97 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.99 -45.08 94.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.765 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.15 -46.0 89.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.53 -40.13 83.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.662 0.268 . . . . 0.0 110.943 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.8 mt -65.47 -44.2 87.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -35.95 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 60' ' ' ILE . 56.8 mt -64.19 -45.69 87.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m-80 -59.91 -32.85 71.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.19 -52.89 61.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.734 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 10' ' ' LYS . 43.3 tp -59.13 -39.14 81.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.766 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.2 mt -59.15 -54.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.25 -27.65 66.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.891 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.62 -27.18 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 111.371 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -87.63 -17.0 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.867 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.21 -48.67 9.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.391 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.99 76.22 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.576 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -54.58 144.33 21.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -75.97 63.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.526 0.679 . . . . 0.0 111.246 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -131.44 88.89 2.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.507 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 m -92.79 88.18 6.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.038 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.48 166.5 30.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.207 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.96 169.82 15.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.047 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.09 55.01 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.208 1.004 . . . . 0.0 108.843 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 69.7 m80 70.01 37.35 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.696 -1.593 . . . . 0.0 110.442 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.909 -179.188 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.606 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 64.3 mtm . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.632 ' HB3' HG12 ' A' ' 24' ' ' ILE . 6.0 tpp180 -132.03 122.96 26.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.6 175.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 25' ' ' TRP . 59.2 t -103.81 128.71 56.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.965 0.412 . . . . 0.0 111.623 -176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -111.78 120.94 41.09 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.17 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.53 -25.62 47.69 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.988 2.458 . . . . 0.0 112.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -128.48 147.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -63.03 97.48 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -120.31 82.81 31.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.94 -54.57 4.86 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.803 3.002 . . . . 0.0 112.877 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -50.28 -47.91 55.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.405 -1.27 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD13 ' HB1' ' A' ' 8' ' ' ALA . 8.4 mp -66.71 -45.01 80.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -178.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.4 mt -58.35 -52.43 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.938 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 60' ' ' ILE . 77.1 t -61.0 -45.33 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.207 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.25 -27.33 65.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.188 -174.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -87.04 -24.86 24.47 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.206 -0.309 . . . . 0.0 110.824 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.62 -22.4 65.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 111.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -56.2 -38.18 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 110.738 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.12 -34.82 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 77.7 m-85 -89.0 9.59 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.799 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 21' ' ' THR . 3.1 pp -32.39 -27.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.499 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.1 t -113.1 101.26 9.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.454 0.57 . . . . 0.0 110.359 175.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.24 -165.71 38.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.844 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.606 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 14.8 t -132.8 135.56 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.632 HG12 ' HB3' ' A' ' 2' ' ' ARG . 14.0 mt -118.36 126.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.549 ' HB2' HG22 ' A' ' 3' ' ' VAL . 15.1 m95 -104.03 113.23 26.62 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.379 0.609 . . . . 0.0 111.132 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -105.09 146.51 12.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.0 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -70.85 -38.89 73.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.313 0.578 . . . . 0.0 110.433 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.6 -25.48 63.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.075 -175.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 49' ' ' VAL . 89.2 mt -118.45 -68.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 111.339 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.7 -136.22 6.32 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptp85 -79.2 130.2 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 39' ' ' PHE . 86.4 mt -116.65 90.56 3.36 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.557 ' HG3' HG22 ' A' ' 23' ' ' VAL . 31.5 tt0 -91.35 135.97 33.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 12.8 p90 -146.76 150.78 36.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.15 0.5 . . . . 0.0 111.034 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -141.19 131.91 25.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.331 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 63.31 19.84 11.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.31 0.381 . . . . 0.0 111.164 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.51 -8.94 76.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.7 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -96.08 117.66 31.13 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-O 121.49 0.662 . . . . 0.0 110.413 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 23.8 m-85 -58.19 121.85 11.73 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.344 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' A' ' 33' ' ' GLU . 85.0 mt -79.12 103.2 8.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.011 0.434 . . . . 0.0 110.517 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD13 HD12 ' A' ' 53' ' ' ILE . 40.0 tp -107.33 98.89 24.9 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.626 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 2.9 Cg_exo -75.06 -174.56 1.99 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.303 2.668 . . . . 0.0 112.218 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -67.84 -34.95 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.169 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -89.54 114.38 25.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.042 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 p -160.77 126.78 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.0 134.2 91.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.521 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.81 -42.23 24.72 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.361 2.707 . . . . 0.0 113.316 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.29 -48.29 80.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.8 t -76.47 -40.99 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.285 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 54' ' ' LEU . 61.6 tttp -57.29 -47.7 80.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.573 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.9 -39.67 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.718 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -64.69 -40.43 95.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 49' ' ' VAL . 76.0 mt -64.25 -32.86 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 50' ' ' LYS . 7.5 mp -63.66 -45.37 90.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.035 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.33 -41.05 92.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.2 mt -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.03 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 21.7 m-80 -63.2 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.09 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.224 0.535 . . . . 0.0 109.842 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 13' ' ' VAL . 42.7 tp -57.88 -40.12 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.451 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 56' ' ' LEU . 81.8 mt -57.24 -53.15 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.15 -46.28 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.83 71.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -82.05 -18.84 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -99.98 5.4 45.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.237 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -2.46 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 0.84 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 68' ' ' LYS . 1.2 m -102.22 -10.82 19.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.286 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 67' ' ' THR . 7.6 ttpm? 67.64 104.76 0.05 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.067 -171.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 p -58.81 -35.65 73.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.589 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 37.77 27.27 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.376 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 71' ' ' LEU . 6.8 tt -70.56 -32.95 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -67.66 -20.11 65.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.307 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -78.59 96.49 5.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.636 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.2 176.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.627 0.251 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 25' ' ' TRP . 33.9 m -86.36 151.74 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 111.005 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 52.8 m-85 -132.16 103.38 14.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.35 -12.6 32.05 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.083 2.522 . . . . 0.0 112.249 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.17 157.86 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -80.56 -85.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . 53.17 81.05 0.27 Allowed Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 123.447 0.467 . . . . 0.0 111.943 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.58 -54.7 5.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.338 2.692 . . . . 0.0 113.538 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HG3' HD12 ' A' ' 11' ' ' LEU . 15.7 ptpt -65.44 -28.73 69.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.398 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' HG3' ' A' ' 10' ' ' LYS . 10.6 mp -72.62 -36.92 68.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.9 -54.12 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.499 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 60' ' ' ILE . 87.2 t -62.17 -44.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.224 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.96 -38.55 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 110.913 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -85.71 -20.42 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.27 63.99 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.547 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -58.71 -29.68 66.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.4 mt -100.14 -30.43 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.851 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -100.25 10.5 41.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.613 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD13 ' HA ' ' A' ' 36' ' ' LYS . 3.6 pp -29.3 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.61 ' N ' HD12 ' A' ' 20' ' ' LEU . 15.3 t -112.54 112.78 24.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.597 0.713 . . . . 0.0 110.456 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.62 -142.21 7.97 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.049 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.79 139.59 11.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 120.696 0.284 . . . . 0.0 110.436 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 34' ' ' PHE . 27.4 pt -120.23 152.6 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.651 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.542 ' HB2' HG12 ' A' ' 3' ' ' VAL . 17.0 m95 -120.48 79.49 1.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.768 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 3.7 t -72.6 142.38 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -11.56 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.3 t70 -94.54 -37.99 11.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' HA ' ' A' ' 49' ' ' VAL . 84.8 mt -103.8 -55.22 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.17 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 -143.16 14.65 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.028 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -79.29 113.57 17.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD11 HD12 ' A' ' 29' ' ' LEU . 89.8 mt -120.63 116.73 25.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.9 143.82 27.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.096 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -149.27 136.59 20.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' HG3' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -125.25 112.63 16.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.345 -175.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.714 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.9 mtmp? 55.15 48.23 20.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.754 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.41 -34.1 5.68 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.159 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -86.51 108.6 18.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 122.051 0.929 . . . . 0.0 111.659 -175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 28.9 m-85 -61.69 123.46 18.01 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 113.439 -1.709 . . . . 0.0 110.468 172.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.27 -174.315 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 CA--C 1.526 0.105 0 N-CA-C 112.518 0.161 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -50.54 -50.32 53.65 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.5 t -74.22 -43.64 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.936 -176.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 54' ' ' LEU . 60.9 tttm -61.8 -48.09 82.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.954 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.27 -35.25 77.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.615 0.245 . . . . 0.0 110.849 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.87 -47.09 87.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.25 -36.49 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 50' ' ' LYS . 8.2 mp -64.31 -45.83 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -69.27 -28.11 66.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' O ' HG13 ' A' ' 60' ' ' ILE . 69.0 mt -65.82 -44.75 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 27.9 m-80 -65.42 -32.88 74.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 110.713 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.34 -49.36 77.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.54 0.686 . . . . 0.0 109.722 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 10' ' ' LYS . 41.9 tp -60.9 -38.36 85.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.651 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -56.68 -49.09 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.579 176.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.63 -18.24 63.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.033 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.94 28.89 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.782 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -75.49 -36.44 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.467 . . . . 0.0 110.507 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.205 176.347 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 7.5 tpm_? . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.99 142.92 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.9 m-85 -130.7 111.89 16.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' PHE . 20.6 Cg_exo -66.47 -22.38 51.94 Favored 'Trans proline' 0 C--N 1.34 0.101 0 C-N-CA 122.844 2.363 . . . . 0.0 111.727 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 t -125.09 139.67 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.611 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -83.15 80.44 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.533 0.683 . . . . 0.0 109.994 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -106.9 101.15 35.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.092 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -40.91 -57.96 1.17 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.09 3.194 . . . . 0.0 114.415 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' HB1' ' A' ' 8' ' ' ALA . 10.0 mp -63.99 -40.27 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.0 110.327 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.83 -54.47 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG13 HG12 ' A' ' 60' ' ' ILE . 98.8 t -61.96 -41.49 91.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.588 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -57.15 -41.0 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -84.9 -28.7 25.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.21 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.722 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -67.02 -23.97 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.456 . . . . 0.0 110.693 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -95.03 -43.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.202 0.525 . . . . 0.0 110.392 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -93.35 10.39 32.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.537 -175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -32.03 -26.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.547 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.8 t -116.09 116.38 27.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.737 0.699 . . . . 0.0 110.743 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.08 -148.9 20.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG12 ' HG2' ' A' ' 33' ' ' GLU . 34.2 m -125.07 152.09 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.824 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 34' ' ' PHE . 10.8 tt -131.53 143.87 39.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.679 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 31' ' ' ARG . 2.1 t90 -130.24 107.72 9.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.2 143.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.42 -39.95 81.39 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.866 0.365 . . . . 0.0 110.964 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.24 -35.36 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.842 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.92 -76.68 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.076 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.18 -157.14 27.82 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' ' CE3' ' A' ' 25' ' ' TRP . 25.3 ttm180 -86.07 125.11 33.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.613 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' HG23 ' A' ' 24' ' ' ILE . 44.4 mt -126.23 171.12 11.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' HG2' HG12 ' A' ' 23' ' ' VAL . 40.4 mt-10 -123.97 170.87 10.19 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -164.07 147.11 9.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.62 0.724 . . . . 0.0 112.222 172.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.516 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 10.4 tp10 -136.14 139.29 42.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 169.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 41.1 mtmt 64.09 11.94 6.6 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.48 0.488 . . . . 0.0 111.018 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.464 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 62.62 38.04 95.75 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.092 -174.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 -110.48 -2.67 16.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.614 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 19.4 m-85 67.69 127.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.079 0.942 . . . . 0.0 113.354 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 73.0 mt . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.234 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.1 Cg_exo . . . . . 0 N--CA 1.464 -0.237 0 CA-C-O 120.516 0.132 . . . . 0.0 112.412 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -62.75 -32.61 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.489 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 53' ' ' ILE . 84.7 t -82.91 -35.76 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.905 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -66.35 -33.3 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.102 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 47' ' ' PRO . 29.3 mm-40 -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.925 0.393 . . . . 0.0 110.343 174.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -66.0 -39.53 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.368 177.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 49' ' ' VAL . 79.1 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.53 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.45 -36.67 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -44.5 96.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.1 mt -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.617 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.46 HD21 ' HB2' ' A' ' 39' ' ' PHE . 6.6 m120 -57.22 -44.74 84.02 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 58' ' ' GLU . 18.9 tp10 -61.45 -47.9 83.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.991 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 58.8 tp -54.61 -42.28 70.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.887 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 56' ' ' LEU . 79.9 mt -57.63 -56.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.19 -30.18 69.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.665 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.43 63.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 111.016 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 25.4 mt-30 -94.43 -35.46 12.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 N--CA 1.463 0.193 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 176.212 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 2' ' ' ARG . 9.0 mmm180 . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.65 130.41 73.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.758 0.314 . . . . 0.0 110.297 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -125.96 111.07 24.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.295 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 73.8 Cg_endo -75.52 1.09 8.37 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.963 2.442 . . . . 0.0 112.763 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.17 140.43 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.206 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 48.5 t80 -83.14 92.73 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.124 0.487 . . . . 0.0 110.015 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.08 90.11 51.53 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -42.94 -51.09 5.71 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.683 2.922 . . . . 0.0 112.87 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -49.02 -57.11 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.447 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.45 -40.77 96.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.113 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.63 -56.2 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 60' ' ' ILE . 95.4 t -65.05 -34.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.32 -43.91 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 110.865 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -84.1 -27.57 28.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.172 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.45 -25.6 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.639 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -64.46 -23.8 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.089 0.471 . . . . 0.0 110.692 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -100.24 -46.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.186 0.517 . . . . 0.0 110.515 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.1 10.04 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.869 -176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -31.77 -27.39 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -174.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' HD12 ' A' ' 20' ' ' LEU . 6.3 t -115.88 97.37 6.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 119.245 0.93 . . . . 0.0 110.378 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.2 -167.5 36.76 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 33' ' ' GLU . 26.3 t -123.06 136.67 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 39' ' ' PHE . 11.2 tt -121.78 141.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -120.63 100.03 6.89 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 t -90.41 147.36 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 12.5 tppt? -76.29 -31.18 58.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 3.9 m-20 -91.89 5.33 50.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.393 -177.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 96.3 mt -139.13 -61.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.238 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.6 -153.79 20.61 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -84.07 130.61 34.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.089 0.471 . . . . 0.0 110.886 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -134.32 136.2 43.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.815 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 23' ' ' VAL . 39.1 mt-10 -108.76 135.62 49.67 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 14.4 p90 -134.38 152.47 51.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 111.612 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.39 136.29 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.603 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.14 17.49 11.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.954 0.406 . . . . 0.0 110.46 -175.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.55 -17.45 52.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.759 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -90.96 116.54 28.85 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.355 1.074 . . . . 0.0 110.673 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.673 ' HE2' HG21 ' A' ' 24' ' ' ILE . 83.7 m-85 -56.25 125.69 22.92 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.442 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -176.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo . . . . . 0 CA--C 1.53 0.315 0 N-CA-C 113.44 0.516 . . . . 0.0 113.44 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.38 -32.83 73.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HA ' HD22 ' A' ' 29' ' ' LEU . 63.7 t -69.48 -41.49 80.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -60.04 -47.14 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.712 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 7.5 tp60 -58.84 -45.74 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.323 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -57.12 -52.3 65.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 39' ' ' PHE . 74.1 mt -56.95 -44.68 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.133 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.468 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 42.3 mt-10 -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 85.6 mt -64.62 -44.96 88.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -61.99 -34.84 76.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.81 -51.46 69.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -61.26 -38.12 85.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.922 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 94.0 mt -58.34 -55.24 23.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.669 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 34.6 tt0 -67.66 -30.58 70.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -176.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.64 83.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.225 0.536 . . . . 0.0 110.511 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -82.09 -32.07 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.398 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.624 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 26.3 t-20 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.76 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 24' ' ' ILE . 42.6 ttm180 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.622 HG12 ' HB2' ' A' ' 25' ' ' TRP . 20.1 m -88.63 141.93 13.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -124.32 105.76 30.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.688 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 14.9 Cg_exo -69.6 -22.07 33.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.747 2.298 . . . . 0.0 111.431 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.52 154.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.253 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -100.85 103.8 15.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -115.76 97.03 48.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.27 -63.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.448 2.766 . . . . 0.0 113.534 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.06 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.723 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.92 -43.25 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 8' ' ' ALA . 81.5 mt -60.19 -52.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.658 0.266 . . . . 0.0 110.644 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.44 HG13 HG12 ' A' ' 60' ' ' ILE . 66.3 t -63.1 -41.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.24 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.08 -29.77 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.182 0.515 . . . . 0.0 111.133 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -91.57 -9.74 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.44 -11.84 44.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.399 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -57.13 -43.4 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.769 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.4 mt -94.66 -30.46 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.423 0.63 . . . . 0.0 110.982 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.08 12.1 35.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.072 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 21' ' ' THR . 1.9 pp -35.67 -17.68 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.455 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.0 t -112.18 100.16 8.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.08 0.854 . . . . 0.0 110.347 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.74 -165.82 38.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.401 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 33' ' ' GLU . 19.9 m -129.5 146.73 33.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.971 0.415 . . . . 0.0 111.295 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 2' ' ' ARG . 23.8 mt -131.62 133.88 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.248 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.622 ' HB2' HG12 ' A' ' 3' ' ' VAL . 11.7 m95 -110.11 94.94 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.71 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 28' ' ' ASP . 5.2 t -86.6 150.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 5' ' ' PRO . 72.4 mmtt -68.55 -24.5 64.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 14.7 t70 -86.11 -51.6 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.086 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.718 HD12 HD11 ' A' ' 32' ' ' LEU . 89.7 mt -90.58 -16.75 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.055 -173.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -80.94 1.21 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.716 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -140.52 124.12 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 29' ' ' LEU . 92.7 mt -117.62 130.89 56.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 23' ' ' VAL . 34.4 mt-10 -114.46 129.36 56.65 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 27.7 p90 -140.34 143.56 35.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.13 0.49 . . . . 0.0 111.462 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -132.68 127.42 34.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.586 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 66.84 23.48 10.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.676 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 99.24 -23.2 37.28 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.442 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -85.25 102.84 13.68 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 111.043 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 50.3 m-85 -55.07 123.4 13.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.791 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -177.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 N--CA 1.474 0.36 0 N-CA-C 113.652 0.597 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -58.74 -41.89 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 0.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 HD22 ' A' ' 29' ' ' LEU . 99.3 t -66.51 -43.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.292 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 57.2 mtpt -58.05 -44.86 87.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.356 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -55.82 -43.66 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.905 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.98 -38.81 83.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 49' ' ' VAL . 43.3 mm -60.88 -48.05 90.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.273 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 78.2 mt -60.54 -40.02 90.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.057 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.67 -43.13 99.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.632 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.8 mt -64.29 -46.68 82.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.714 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -41.67 87.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.712 0.291 . . . . 0.0 110.456 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.4 -51.97 67.58 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.726 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 53.1 tp -58.08 -45.03 87.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.484 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -57.06 -52.95 49.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 110.582 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.15 -25.2 66.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.758 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.29 -22.61 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.437 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 66.1 mt-30 -76.12 -41.22 50.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.01 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.969 174.298 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.54 126.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.15 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.5 114.13 57.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.01 0.433 . . . . 0.0 111.501 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 5.5 Cg_exo -78.57 -2.12 12.2 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.045 2.497 . . . . 0.0 111.769 175.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.28 127.81 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -87.5 103.09 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.11 104.46 13.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -44.51 -58.66 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.917 3.078 . . . . 0.0 114.09 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.09 -39.37 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.724 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.66 -37.86 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.56 -52.02 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 HG12 ' A' ' 60' ' ' ILE . 87.1 t -62.65 -44.07 99.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.561 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -62.38 -36.97 83.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.257 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -79.45 -29.57 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.736 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.7 68.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.312 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -26.82 68.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.9 mt -101.21 -37.38 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -90.64 8.48 34.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.412 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -29.93 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -175.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.568 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.2 t -111.41 94.09 4.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.553 0.692 . . . . 0.0 110.195 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.1 -153.77 14.44 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.69 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.96 136.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 32' ' ' LEU . 5.6 tt -120.65 120.05 61.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 109.749 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -99.98 113.57 26.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.151 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -109.33 145.78 15.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 44.0 mtmt -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.647 -174.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.13 0.52 55.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.171 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.62 -59.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.951 0.405 . . . . 0.0 110.746 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.25 -156.33 22.33 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -88.15 116.55 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.22 0.534 . . . . 0.0 110.098 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -103.51 105.39 15.62 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.14 130.26 35.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.808 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.08 135.62 29.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.118 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 23.8 tt0 -125.88 127.36 45.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.757 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.544 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 55.3 mttp 63.4 21.93 13.02 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.408 0.442 . . . . 0.0 110.399 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.35 -14.58 62.12 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.134 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 102.62 14.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.724 0.773 . . . . 0.0 109.744 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.62 120.59 5.85 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.877 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.702 0.763 . . . . 0.0 110.545 -176.408 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo . . . . . 0 CA--C 1.531 0.351 0 N-CA-C 114.264 0.832 . . . . 0.0 114.264 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 88.3 tttt -72.41 -35.89 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.128 0.49 . . . . 0.0 110.992 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' ILE . 59.9 t -68.78 -37.17 77.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.127 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 34.9 ttpt -55.03 -54.03 48.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.474 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.08 -25.57 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.602 -178.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -72.94 -43.64 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 49' ' ' VAL . 93.4 mt -61.74 -44.71 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.343 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 97.7 mt -58.58 -44.64 89.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.58 -41.62 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.364 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.1 mt -63.34 -45.97 88.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -58.69 -39.93 82.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.33 -45.87 82.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.044 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.35 -35.12 76.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.841 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.7 mt -57.1 -53.86 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -40.97 96.22 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.313 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.82 -43.85 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.523 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.99 -35.03 50.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.505 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 111.512 -176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 20.0 mmt180 . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 25' ' ' TRP . 48.6 t -126.66 127.07 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.582 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 24' ' ' ILE . 55.6 m-85 -120.73 98.52 47.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 111.077 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 12.7 Cg_exo -71.26 -32.78 12.29 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.7 2.267 . . . . 0.0 111.677 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.73 -37.27 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.086 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 57.2 86.96 0.07 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.452 0.644 . . . . 0.0 111.136 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -123.8 100.02 37.86 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.807 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -38.1 -60.7 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.178 3.252 . . . . 0.0 114.569 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.796 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.28 -34.89 78.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.592 -174.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.796 HD12 ' HG2' ' A' ' 10' ' ' LYS . 9.2 mp -67.66 -41.38 83.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.718 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.32 -48.83 85.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 61.1 t -66.51 -37.82 80.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.37 -31.21 71.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 111.081 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -81.38 -32.05 33.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 110.176 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.37 66.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 13.0 mmm180 -58.06 -30.8 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.257 0.551 . . . . 0.0 110.371 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.77 -40.83 8.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.765 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 28.8 m-85 -87.24 10.33 17.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 -177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.506 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.9 pp -29.2 -31.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 t -116.56 90.78 3.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.027 0.83 . . . . 0.0 110.153 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.23 -169.98 38.37 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -124.19 140.23 48.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 -177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 4' ' ' PHE . 9.2 tt -131.8 138.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.782 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.558 ' HB2' HG22 ' A' ' 3' ' ' VAL . 12.6 m95 -109.67 124.51 51.33 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.651 0.739 . . . . 0.0 110.554 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.555 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.4 t -108.84 141.81 23.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.268 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 36.8 ttpt -66.08 -35.92 81.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -97.97 1.4 47.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.343 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 90.5 mt -125.9 -50.54 1.58 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.359 . . . . 0.0 111.522 -177.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.1 -144.16 17.12 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -86.03 137.79 32.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.02 0.41 . . . . 0.0 110.344 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 24' ' ' ILE . 94.8 mt -126.65 110.21 12.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -102.07 118.06 36.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.557 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 11.1 p90 -126.36 158.16 36.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.915 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.625 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 40.5 tt0 -136.45 135.55 38.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.754 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 59.9 mttm 65.11 17.63 11.13 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.487 0.492 . . . . 0.0 110.985 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.75 21.11 66.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.773 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -124.16 110.73 15.05 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.936 0.874 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.425 ' HB2' HD21 ' A' ' 57' ' ' ASN . 48.9 m-85 -53.89 126.15 21.27 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.987 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.457 -177.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo . . . . . 0 CA--C 1.53 0.289 0 N-CA-C 112.954 0.329 . . . . 0.0 112.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.95 -47.47 86.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.842 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 53' ' ' ILE . 56.0 t -65.15 -47.42 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.195 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -56.09 -56.85 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 0.0 110.767 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.053 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.59 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.2 mt -60.53 -40.85 85.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.903 0.382 . . . . 0.0 110.601 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.23 -41.91 89.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.68 -21.63 41.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.165 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 60' ' ' ILE . 48.1 mt -67.57 -38.25 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.425 HD21 ' HB2' ' A' ' 39' ' ' PHE . 12.0 m120 -63.32 -39.32 94.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.041 174.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.27 -50.54 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.486 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.77 -33.12 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.244 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.7 mt -60.44 -56.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.378 175.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 11.6 tp10 -74.75 -10.13 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.645 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.97 34.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.085 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -81.4 -33.21 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.134 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.518 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 4.9 m-20 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 170.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 CA--C 1.527 0.069 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.04 133.17 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 m-85 -113.34 108.86 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 13.2 Cg_exo -71.0 -15.61 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.128 2.552 . . . . 0.0 112.407 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.42 143.79 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.888 0.375 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -92.27 96.1 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.82 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -121.12 102.84 43.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.936 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -37.89 -61.61 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 124.468 3.445 . . . . 0.0 114.438 -174.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.15 -40.2 74.92 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.008 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 75.9 mt -66.11 -34.38 77.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.434 -175.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 8' ' ' ALA . 80.6 mt -63.35 -52.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 60' ' ' ILE . 99.5 t -58.27 -46.53 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.441 0.639 . . . . 0.0 110.839 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.0 -28.34 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.652 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.15 -29.61 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.524 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -21.93 66.72 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 110.57 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -54.07 -30.12 46.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.056 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.58 -43.1 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.241 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -97.66 9.81 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.611 -172.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 21' ' ' THR . 2.5 pp -34.99 -21.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -171.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -116.44 122.01 43.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 119.47 1.032 . . . . 0.0 111.062 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.86 -151.26 22.99 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.158 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -118.44 128.54 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 tt -109.84 135.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -113.77 111.62 22.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.02 0.438 . . . . 0.0 110.58 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -110.19 148.1 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 67.0 mttm -72.59 -34.28 67.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.014 0.435 . . . . 0.0 111.205 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.73 -6.78 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.056 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 mt -129.05 -53.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.91 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.95 -150.33 17.15 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -88.61 134.45 33.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.312 0.556 . . . . 0.0 109.783 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 72.4 mt -128.06 147.14 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 110.686 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.84 105.87 16.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -119.49 141.68 48.96 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.887 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -140.71 117.29 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 62.43 28.55 16.87 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.67 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.63 -17.5 58.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.228 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -85.22 131.59 34.4 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.462 0.648 . . . . 0.0 109.709 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.08 -19.21 22.57 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.942 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.466 0.33 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.823 -179.408 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo . . . . . 0 C--O 1.235 0.35 0 CA-C-O 121.161 0.4 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -56.17 -53.7 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.461 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.23 -25.87 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.433 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.28 -41.94 93.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -45.03 93.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.461 -0.791 . . . . 0.0 108.963 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.16 -52.66 61.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.266 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -53.02 -48.65 52.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.673 0.273 . . . . 0.0 111.386 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.42 -38.95 91.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.17 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.71 -38.81 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.217 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.1 mt -60.48 -49.23 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.297 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.564 HD22 HD12 ' A' ' 60' ' ' ILE . 10.8 m120 -59.69 -39.21 83.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.832 0.349 . . . . 0.0 110.909 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.91 -46.78 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.345 0.593 . . . . 0.0 109.686 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.71 -41.01 94.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.11 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LEU . 76.9 mt -55.19 -54.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 42.4 mt-10 -74.52 -19.09 60.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.658 -176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.62 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.38 -36.43 76.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.137 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.576 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 6.2 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.043 177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 3.5 tpm_? . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 25' ' ' TRP . 49.2 t -101.68 126.95 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.78 0.324 . . . . 0.0 110.344 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HE2' HD23 ' A' ' 11' ' ' LEU . 13.0 m-85 -105.67 110.6 64.37 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.58 -1.15 11.32 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.624 2.216 . . . . 0.0 111.601 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.8 152.87 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.26 -83.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.303 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.66 88.87 0.1 Allowed Pre-proline 0 N--CA 1.466 0.374 0 C-N-CA 123.217 0.607 . . . . 0.0 112.209 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -45.67 -56.84 2.52 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.497 2.798 . . . . 0.0 113.971 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 59' ' ' LEU . 93.5 mttt -71.45 -24.28 61.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.495 -175.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HE2' ' A' ' 4' ' ' PHE . 9.5 tt -71.57 -37.79 71.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 79.1 mt -59.66 -57.3 12.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 174.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 60' ' ' ILE . 73.8 t -54.6 -43.09 63.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.705 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.46 -35.29 79.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.483 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.34 -24.38 23.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 111.407 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.74 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.119 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.8 ttt-85 -71.76 -10.35 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.38 . . . . 0.0 111.078 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.2 mt -90.66 -46.34 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.687 0.756 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -100.79 11.33 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.195 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.583 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -36.5 -19.7 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -117.89 98.89 6.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.437 0.637 . . . . 0.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.3 -141.96 7.71 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.756 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.2 t -130.18 133.58 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.62 0.248 . . . . 0.0 110.43 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.5 tt -112.43 124.83 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.889 0.376 . . . . 0.0 110.06 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.451 ' HB2' HG22 ' A' ' 3' ' ' VAL . 13.7 m95 -99.53 102.19 13.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.232 0.539 . . . . 0.0 110.822 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 142.37 14.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.073 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -77.13 -22.41 52.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -89.4 -15.57 32.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.869 0.366 . . . . 0.0 111.492 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD22 HG22 ' A' ' 49' ' ' VAL . 96.2 mt -128.51 -46.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 111.445 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.7 -160.28 22.25 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 20.4 ptt180 -79.97 130.71 35.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.317 0.558 . . . . 0.0 110.447 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.1 mt -117.17 150.57 38.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.629 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -108.44 131.97 54.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.909 0.385 . . . . 0.0 110.358 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.94 143.7 33.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.157 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -136.58 136.5 39.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.692 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.6 ptpp? 47.51 31.95 2.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.905 0.882 . . . . 0.0 112.203 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.583 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 91.17 -7.38 80.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -99.01 107.31 19.7 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.055 0.931 . . . . 0.0 110.839 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 53' ' ' ILE . 39.6 m-85 -60.14 116.99 4.6 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.527 169.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--N 1.327 -0.383 0 O-C-N 123.336 0.398 . . . . 0.0 110.887 -175.296 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 C--O 1.235 0.352 0 N-CA-C 113.215 0.429 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -68.77 -25.77 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 111.497 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG22 HD22 ' A' ' 29' ' ' LEU . 41.7 t -83.09 -46.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 109.649 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.38 -44.86 92.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.908 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.97 -44.91 95.75 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -60.84 -51.96 67.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 39' ' ' PHE . 72.2 mt -62.74 -47.46 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.58 -31.84 71.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.142 -178.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 54' ' ' LEU . 34.4 tt0 -68.35 -40.03 81.64 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.6 mt -62.33 -46.39 88.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.516 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -62.31 -40.36 96.07 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.987 0.422 . . . . 0.0 110.625 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.38 -43.93 89.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.144 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 10' ' ' LYS . 51.8 tp -59.09 -43.08 91.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.877 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 HG13 ' A' ' 13' ' ' VAL . 86.2 mt -59.72 -50.03 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.662 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -76.55 -0.85 24.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.752 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.74 -49.62 7.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -66.02 -54.04 30.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -178.629 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 2' ' ' ARG . 10.9 mmm180 . . . . . 0 CA--C 1.515 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.05 131.76 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.733 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -127.86 106.59 20.4 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.19 -33.28 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 111.041 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -89.43 118.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.262 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -89.53 92.41 9.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.194 0.521 . . . . 0.0 110.047 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.07 98.08 45.08 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -41.88 -53.76 3.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.895 3.063 . . . . 0.0 114.153 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -52.5 -52.0 56.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.845 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.01 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.87 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.46 -52.6 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.019 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 HG12 ' A' ' 60' ' ' ILE . 73.2 t -65.45 -41.73 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.556 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.28 -40.79 74.82 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.096 0.475 . . . . 0.0 110.616 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -79.1 -33.75 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.43 -24.18 67.27 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -61.6 -28.85 69.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.06 0.457 . . . . 0.0 110.223 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.4 mt -101.07 -40.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.981 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' THR . 35.8 m-85 -88.51 11.18 17.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.793 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.557 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.0 pp -29.16 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.7 t -119.97 96.8 5.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.822 1.192 . . . . 0.0 110.889 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.39 -175.91 45.88 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.58 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 5.4 p -124.23 135.26 64.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.275 0.559 . . . . 0.0 110.879 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.6 tt -119.96 139.81 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.008 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ARG . 2.5 t-105 -109.56 112.43 24.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.63 149.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.43 -53.61 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.57 -47.6 10.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.887 0.375 . . . . 0.0 111.914 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.05 -31.26 56.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.701 -170.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.06 -153.85 18.64 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -175.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 7.5 ptp180 -85.05 138.54 32.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.137 0.469 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.36 130.46 34.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 53.2 mt-10 -101.87 127.07 48.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE2' ' O ' ' A' ' 19' ' ' PHE . 13.9 p90 -113.45 138.24 50.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.896 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 35.3 tt0 -140.43 131.96 27.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.514 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 57.4 mttp 62.81 24.39 14.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.244 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 80.19 17.9 73.09 Favored Glycine 0 C--O 1.226 -0.371 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.097 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 38.8 mtp180 -117.68 140.19 49.99 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.17 3.76 54.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.227 -173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 176.853 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 N-CA-C 111.65 -0.173 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.51 -47.61 66.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.039 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . 98.5 t -86.79 -44.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 54' ' ' LEU . 35.0 ttpt -59.47 -41.68 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.275 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.82 -40.24 92.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.822 0.344 . . . . 0.0 110.136 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -67.07 -42.77 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.7 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 49' ' ' VAL . 46.4 mm -62.9 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.0 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 50' ' ' LYS . 8.9 mp -63.54 -39.89 95.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -47.37 85.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.329 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.628 ' O ' HG13 ' A' ' 60' ' ' ILE . 83.9 mt -62.97 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -64.48 -40.04 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.03 -42.0 97.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.293 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.88 -34.05 77.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.891 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 56' ' ' LEU . 88.6 mt -60.53 -56.14 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.46 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.22 -13.22 62.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.254 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.22 -44.77 17.3 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.02 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.41 -27.38 41.79 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.0 p30 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 0.0 110.479 176.231 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 22.3 tpt180 . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 25' ' ' TRP . 46.8 t -118.87 123.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.459 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 24' ' ' ILE . 43.8 m-85 -109.02 110.19 60.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.142 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.57 -21.04 26.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.815 2.343 . . . . 0.0 111.08 174.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.87 129.63 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.238 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.71 101.59 7.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -118.68 105.97 44.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.987 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 -62.63 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.843 3.029 . . . . 0.0 114.093 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.21 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.247 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.97 -39.27 90.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.366 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ALA . 82.7 mt -65.7 -49.61 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.514 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG13 HG12 ' A' ' 60' ' ' ILE . 76.9 t -58.9 -45.75 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.219 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -64.21 -40.13 95.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.427 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -83.81 -20.99 32.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.64 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.201 0.524 . . . . 0.0 110.116 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -62.84 -21.75 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.387 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.53 -47.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.682 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 99.2 m-85 -88.48 9.5 23.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.207 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 35' ' ' GLU . 2.3 pp -37.97 -7.44 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PHE . 3.6 t -130.09 118.22 21.18 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 119.75 1.159 . . . . 0.0 111.027 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.27 -140.98 12.24 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.362 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.72 141.38 46.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 32' ' ' LEU . 10.5 tt -121.17 122.33 67.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.308 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.541 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.8 m95 -99.85 113.51 26.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.874 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.39 139.15 21.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -90.49 -18.54 25.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.486 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.02 -48.61 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.43 -144.18 15.46 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -91.61 125.12 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.768 0.284 . . . . 0.0 110.71 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 24' ' ' ILE . 88.3 mt -115.46 123.31 48.26 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 40' ' ' LEU . 8.5 pt-20 -96.94 138.66 34.14 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -150.65 152.1 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.471 . . . . 0.0 111.497 -174.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 34.1 tt0 -143.77 133.29 23.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.265 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.843 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 5.8 mptt 63.84 20.3 12.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.958 0.503 . . . . 0.0 111.246 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.78 -0.88 84.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.234 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -98.24 109.53 22.27 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.983 0.897 . . . . 0.0 110.405 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 40.7 m-85 -58.15 127.47 32.25 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.369 -1.741 . . . . 0.0 111.208 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 9.1 mp . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.407 0.622 . . . . 0.0 110.089 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.229 0.044 0 CA-C-O 120.554 0.147 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -61.41 -36.5 80.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.243 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.99 -46.83 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.885 0.374 . . . . 0.0 110.224 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.19 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.557 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.0 -44.19 97.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.32 83.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.6 mt -62.94 -39.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.77 -35.21 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 60' ' ' ILE . 89.9 mt -64.54 -44.11 91.85 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.101 173.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.44 -38.4 80.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.865 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.91 -48.85 77.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.003 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.37 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.583 HG12 HG13 ' A' ' 13' ' ' VAL . 90.8 mt -57.78 -55.39 21.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.25 -41.02 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.541 0.525 . . . . 0.0 111.013 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.54 -55.62 12.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.525 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -71.82 -19.43 61.98 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.702 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 176.443 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.878 0.37 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 47.8 t -87.51 127.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.88 102.34 51.31 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.272 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -68.64 -10.06 27.94 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.257 2.638 . . . . 0.0 112.165 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.9 130.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -77.62 93.22 4.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.946 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -111.21 91.57 13.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.689 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 1.2 Cg_endo -44.62 -65.28 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 124.22 3.28 . . . . 0.0 114.106 -171.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' HD21 ' A' ' 59' ' ' LEU . 95.1 mttt -67.3 -25.05 65.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.716 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.32 -41.9 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.328 . . . . 0.0 110.217 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 8' ' ' ALA . 87.0 mt -57.28 -48.63 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.524 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.22 -37.46 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -62.73 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -26.11 67.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -58.87 -27.58 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 111.465 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -100.97 -39.62 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.503 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -86.36 8.88 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.386 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -28.83 -38.16 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -172.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.566 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 6.2 t -117.52 95.68 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.826 0.822 . . . . 0.0 110.104 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.25 -164.44 28.56 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.639 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG22 ' HG2' ' A' ' 33' ' ' GLU . 38.7 t -124.2 127.2 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.424 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 ' HE2' ' A' ' 39' ' ' PHE . 12.6 tt -117.73 149.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -130.22 97.17 4.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 109.926 -179.167 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.6 t -91.75 149.36 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 23.5 ttpp -62.41 -46.41 88.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.114 0.483 . . . . 0.0 111.439 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.62 -3.25 58.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.077 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 49' ' ' VAL . 77.0 mt -118.4 -56.51 2.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 0.0 111.055 -175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 25' ' ' TRP . . . 112.28 -150.39 18.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.617 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 31' ' ' ARG . 7.8 ttp180 -75.9 119.73 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.74 0.305 . . . . 0.0 110.993 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 96.5 mt -125.63 111.98 15.61 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 23' ' ' VAL . 43.6 mt-10 -94.76 105.31 17.24 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -109.03 155.48 20.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.152 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.585 ' HG3' ' HG2' ' A' ' 36' ' ' LYS . 10.0 tp10 -143.1 142.73 31.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.842 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 68.7 mmtt 63.3 16.71 9.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.444 0.697 . . . . 0.0 110.84 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.87 4.35 87.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.969 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 38' ' ' ARG . 28.4 mtp85 -114.12 133.45 55.56 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.218 1.008 . . . . 0.0 110.298 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.655 ' HE2' HG21 ' A' ' 24' ' ' ILE . 59.3 m-85 -85.05 126.67 33.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.302 -171.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.157 177.717 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo . . . . . 0 CA--C 1.532 0.425 0 N-CA-C 114.068 0.757 . . . . 0.0 114.068 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -65.19 -30.44 71.35 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.354 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' HA ' HD22 ' A' ' 29' ' ' LEU . 25.5 t -76.69 -46.39 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.63 -43.44 98.84 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.923 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.06 -45.95 86.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.838 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.71 -42.69 97.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.789 -175.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.05 -46.17 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.33 -29.97 66.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.765 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.67 -45.94 87.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.3 mt -61.68 -42.08 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.82 -50.28 68.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.124 0.487 . . . . 0.0 110.292 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.65 -43.24 99.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 10' ' ' LYS . 31.9 tp -61.06 -36.33 79.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.371 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 56' ' ' LEU . 85.9 mt -59.73 -47.33 91.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -71.71 -8.37 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.562 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.38 19.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -85.95 -28.94 23.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.255 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 p30 . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -178.811 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 . . . . . 0 N--CA 1.461 0.123 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -106.07 137.21 37.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.527 ' HE2' HD22 ' A' ' 11' ' ' LEU . 40.4 m-85 -123.8 95.08 45.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -78.12 -18.36 12.86 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.191 2.594 . . . . 0.0 112.334 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.5 -31.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.367 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 t80 62.67 91.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.477 0.656 . . . . 0.0 110.596 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -119.13 104.55 46.04 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.886 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -45.57 -60.94 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.7 2.933 . . . . 0.0 114.115 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.55 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.139 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD22 ' HE2' ' A' ' 4' ' ' PHE . 2.3 tt -60.94 -45.6 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.86 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 71.6 mt -65.14 -50.76 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.86 -46.59 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.499 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -63.99 -38.36 90.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.219 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.4 -28.28 52.66 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.023 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.37 66.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.03 -35.97 74.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.097 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -90.61 -38.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.945 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -82.27 12.32 4.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.583 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' LYS . 12.7 tp -23.94 -43.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.984 1.714 . . . . 0.0 114.95 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 5.1 t -125.01 79.94 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.0 0.905 . . . . 0.0 110.419 170.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.79 -173.37 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.439 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 t -125.64 136.78 59.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.454 0.645 . . . . 0.0 111.413 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -127.4 124.58 64.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.813 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 31' ' ' ARG . 2.2 t-105 -95.31 110.95 22.89 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 t -102.95 151.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -75.91 -6.29 50.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.0 -45.06 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.566 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 32' ' ' LEU . 60.3 mt -112.37 -11.33 13.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.778 0.323 . . . . 0.0 111.573 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -149.92 19.99 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.347 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 13.6 ptt180 -81.73 120.78 25.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.216 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 29' ' ' LEU . 95.9 mt -111.86 116.82 31.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.07 135.86 38.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 3.6 p90 -132.16 150.34 52.18 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.43 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 29.9 tt0 -135.64 125.35 25.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.889 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.607 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 mmmm 55.86 42.48 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.807 177.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.3 61.98 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.025 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -96.85 124.11 40.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.436 0.636 . . . . 0.0 110.342 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 12.6 m-85 -74.43 2.42 9.53 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.84 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.234 0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.891 176.11 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo . . . . . 0 N--CA 1.477 0.539 0 N-CA-C 113.217 0.43 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -82.58 -38.25 23.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.342 0.591 . . . . 0.0 110.622 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.621 ' HA ' HD22 ' A' ' 29' ' ' LEU . 20.8 t -79.01 -41.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.738 -168.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.533 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 64.2 tttm -63.36 -24.73 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.119 -177.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.99 -51.04 61.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.037 0.446 . . . . 0.0 109.855 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -72.05 -36.46 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.624 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' A' ' 50' ' ' LYS . 29.9 mt -56.67 -42.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.33 -42.91 99.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.65 -49.1 78.87 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.855 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 60' ' ' ILE . 86.5 mt -66.38 -47.45 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.835 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' ND2' HG23 ' A' ' 53' ' ' ILE . 25.2 m-80 -66.73 -35.3 79.78 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -176.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.98 -43.14 99.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.513 0.673 . . . . 0.0 109.205 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HG ' ' NE2' ' A' ' 63' ' ' GLN . 54.0 tp -63.46 -38.21 90.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.619 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.4 mt -60.58 -58.22 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 14.7 pt-20 -64.95 -25.4 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.36 -47.22 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' A' ' 59' ' ' LEU . 45.6 mt-30 -74.54 -38.33 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.302 0.572 . . . . 0.0 110.498 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 11.3 t30 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.154 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.571 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 2.3 mmp_? . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.689 0.28 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 25' ' ' TRP . 57.9 t -128.33 132.6 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.708 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CD1' HD11 ' A' ' 24' ' ' ILE . 52.1 m-85 -124.96 106.89 28.59 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 4.1 Cg_exo -75.49 8.38 2.63 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 123.193 2.596 . . . . 0.0 112.348 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.25 139.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 36.6 t80 -81.4 93.86 6.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.209 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.64 96.25 16.89 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.42 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -45.6 -56.2 2.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.661 2.908 . . . . 0.0 113.969 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -57.95 -40.58 80.9 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.57 -38.7 87.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.458 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 24' ' ' ILE . 91.4 mt -62.14 -52.25 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 177.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 HG12 ' A' ' 60' ' ' ILE . 83.5 t -61.15 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.513 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -63.37 -28.15 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.09 -27.88 22.86 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.567 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.67 63.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -50.74 -35.28 30.72 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.524 0.678 . . . . 0.0 110.94 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -101.08 -37.44 5.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' THR . 58.3 m-85 -96.3 10.17 38.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.486 -171.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 1.7 pp -52.29 5.16 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -171.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' PHE . 9.6 t -136.07 41.14 2.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.765 0.711 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.42 -143.75 4.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.183 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.96 139.78 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 110.694 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 4' ' ' PHE . 11.5 tt -128.24 130.28 69.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.442 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.4 m0 -104.96 99.34 8.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.648 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.4 t -92.62 141.84 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 34.3 ttpt -67.55 -45.94 74.2 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.906 0.384 . . . . 0.0 111.401 -174.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 7.3 m-20 -80.94 -15.03 57.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.535 -175.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 94.9 mt -107.83 -63.96 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.791 0.329 . . . . 0.0 111.033 -177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.28 -157.34 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.873 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -78.98 112.03 15.77 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.92 127.03 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.763 0.316 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -104.24 135.15 46.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.862 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -137.12 141.17 42.28 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 -177.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 32.9 tt0 -128.66 121.79 29.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.486 -173.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 32.1 mmmt 60.28 28.32 17.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.813 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 89.82 -9.35 77.52 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.68 -177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -88.94 114.32 25.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.679 0.752 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.85 120.2 25.35 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.371 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.966 0.412 . . . . 0.0 110.938 -178.053 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 26.5 Cg_endo . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.827 0.261 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.41 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.25 -40.28 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 63.4 tttp -55.28 -56.02 24.77 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.071 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 2.1 mp0 -67.11 -30.27 70.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.124 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -61.07 -47.99 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -66.14 -35.95 76.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.398 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 50' ' ' LYS . 6.9 mp -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 174.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 73.4 mm-40 -58.78 -39.55 81.38 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.756 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 72.2 mt -63.55 -46.82 84.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.486 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -66.37 -37.76 86.02 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.571 0.7 . . . . 0.0 109.411 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -42.65 90.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.65 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.39 -34.58 78.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.201 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG12 HG13 ' A' ' 13' ' ' VAL . 83.8 mt -59.92 -45.93 94.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.39 -28.72 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.483 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -78.14 -11.22 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.074 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 3.8 t-20 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.448 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.983 0.421 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.574 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 35.4 m -86.15 144.17 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.027 173.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -119.9 95.21 49.09 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.348 . . . . 0.0 110.611 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.27 0.09 9.79 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.113 2.542 . . . . 0.0 111.696 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.05 122.46 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.064 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -87.19 97.7 10.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -123.77 103.14 34.48 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.187 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 5.6 Cg_exo -42.54 -68.16 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.1 3.2 . . . . 0.0 113.831 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.698 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -26.05 66.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.23 -175.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.698 HD22 ' HG2' ' A' ' 10' ' ' LYS . 4.0 mm? -75.18 -53.47 8.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.588 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.62 -50.4 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.729 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 60' ' ' ILE . 39.5 t -62.02 -48.93 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.041 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -70.19 -27.14 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.831 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -78.07 -32.9 50.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 110.553 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -20.22 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.037 0.446 . . . . 0.0 110.536 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.58 -29.79 69.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.148 0.499 . . . . 0.0 110.15 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.64 -43.6 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -81.82 9.51 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.627 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 4.2 pp -32.77 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.4 t -121.07 99.74 6.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.494 0.588 . . . . 0.0 110.373 176.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.73 -159.38 29.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.158 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.2 t -132.39 131.14 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.236 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.0 tt -120.15 131.27 72.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.955 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 3' ' ' VAL . 13.0 m95 -102.11 89.29 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.197 0.523 . . . . 0.0 110.267 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.8 t -76.56 149.0 6.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.365 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 5' ' ' PRO . 6.0 tppp? -68.48 -57.4 5.88 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 0.0 111.194 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.42 -23.31 53.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.489 -173.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 89.5 mt -101.9 -82.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.74 -150.95 22.82 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.046 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 31' ' ' ARG . 43.7 ttp180 -77.23 107.89 9.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 24' ' ' ILE . 96.7 mt -115.69 133.84 55.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.354 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -108.94 136.12 49.0 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -140.94 140.41 34.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -176.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.3 tt0 -133.63 130.07 37.78 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.296 -175.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 94.0 mttt 63.44 24.15 14.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.911 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.07 -9.38 76.59 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.5 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -98.51 105.73 17.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.936 0.874 . . . . 0.0 110.289 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 4.8 m-85 -57.74 124.8 20.4 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.103 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 -178.291 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo . . . . . 0 CA--C 1.53 0.32 0 N-CA-C 113.611 0.581 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -63.75 -42.7 97.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.968 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 53' ' ' ILE . 42.4 t -64.92 -42.34 94.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.825 -176.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.376 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.09 -39.84 83.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -69.8 -43.27 72.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 49' ' ' VAL . 44.9 mm -60.66 -48.5 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.637 0.256 . . . . 0.0 110.854 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -39.33 93.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -58.63 -51.57 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.275 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 60' ' ' ILE . 74.5 mt -62.55 -44.87 95.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.016 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -40.18 94.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.52 -49.97 71.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.222 0.534 . . . . 0.0 109.736 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 13' ' ' VAL . 29.6 tp -57.58 -34.35 69.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.274 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.1 mt -57.28 -54.83 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 121.035 0.445 . . . . 0.0 109.828 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.63 -31.17 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.149 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.43 85.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.287 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -69.69 -29.12 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.832 0.349 . . . . 0.0 110.823 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.65 177.494 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.546 0.212 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -107.98 141.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.938 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -118.39 105.03 47.01 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.12 1.4 8.97 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.197 2.598 . . . . 0.0 111.379 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -133.58 133.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.303 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -94.49 96.8 9.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.93 0.395 . . . . 0.0 109.99 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.19 100.54 15.46 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.038 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.16 -59.03 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.689 2.926 . . . . 0.0 113.775 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -62.58 -30.41 71.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.62 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.1 tp -72.89 -48.47 37.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.999 0.428 . . . . 0.0 109.992 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.32 -49.17 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.95 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG21 HD23 ' A' ' 59' ' ' LEU . 74.9 t -58.55 -48.09 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 123.302 0.376 . . . . 0.0 111.433 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -65.13 -38.33 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -76.27 -33.08 59.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.61 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.337 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.44 178.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -93.02 -27.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.561 0.696 . . . . 0.0 110.449 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.06 10.02 41.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.348 -174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' THR . 3.5 pp -29.5 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -172.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' HD12 ' A' ' 20' ' ' LEU . 5.4 t -120.01 98.07 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.1 0.864 . . . . 0.0 109.993 170.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.92 33.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.804 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.78 122.94 69.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.619 0.247 . . . . 0.0 110.919 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 tt -118.66 145.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.17 106.94 12.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.798 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 t -95.26 155.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.52 -54.72 31.86 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.898 0.38 . . . . 0.0 111.578 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.73 -45.53 15.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.688 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.24 -27.97 42.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.703 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.5 -155.19 24.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.241 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 31' ' ' ARG . 10.2 ttp180 -75.79 121.1 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.381 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -122.5 140.36 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.008 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -105.45 137.27 43.55 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 1.3 p90 -133.53 142.58 48.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.994 0.426 . . . . 0.0 110.354 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -127.7 121.34 30.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.671 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 64.45 27.35 13.54 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.485 0.49 . . . . 0.0 110.728 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.12 -17.02 58.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.538 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -80.26 104.3 10.72 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.652 0.739 . . . . 0.0 110.33 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 30.0 m-85 -59.35 118.31 5.82 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.612 172.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.976 179.488 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 CA--C 1.528 0.224 0 N-CA-C 113.046 0.364 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.01 -33.13 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.765 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 53' ' ' ILE . 95.1 t -68.89 -43.86 82.1 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.27 -175.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -56.68 -46.53 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.798 0.332 . . . . 0.0 110.58 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -60.05 -45.42 92.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.369 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.16 80.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.969 0.414 . . . . 0.0 111.241 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 39' ' ' PHE . 28.9 mm -65.87 -40.01 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.438 177.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.27 -35.0 78.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.415 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.28 -50.12 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.9 0.381 . . . . 0.0 110.513 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 60' ' ' ILE . 97.3 mt -61.36 -46.82 88.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -65.16 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.76 -41.01 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 109.542 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 13' ' ' VAL . 59.1 tp -58.28 -41.72 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.306 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -59.19 -46.41 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.218 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.52 -42.49 92.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.067 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.46 83.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.496 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -73.13 -18.91 61.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 0.0 110.283 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.53 -177.761 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.16 136.17 48.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 110.944 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -127.15 103.17 23.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.307 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.44 -5.44 17.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.088 2.526 . . . . 0.0 112.142 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.28 146.36 34.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.327 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -88.21 100.99 13.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 0.0 110.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.77 94.94 30.43 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.44 -62.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.736 2.957 . . . . 0.0 113.939 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HA ' HD21 ' A' ' 59' ' ' LEU . 67.3 mttm -59.41 -38.53 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.07 -50.53 65.81 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.17 -49.24 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 HD23 ' A' ' 59' ' ' LEU . 38.7 t -64.13 -42.51 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.073 -177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -75.76 -31.44 59.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.29 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.23 -29.88 70.72 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.15 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -10.51 59.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.7 -51.2 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.385 0.612 . . . . 0.0 110.446 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' THR . 75.4 m-85 -93.26 11.82 26.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.597 -173.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 36' ' ' LYS . 1.3 pp -28.69 -28.15 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -172.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . 6.8 t -116.16 106.86 14.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 119.408 1.003 . . . . 0.0 110.802 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.9 23.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.586 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.69 125.24 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 122.521 0.329 . . . . 0.0 110.277 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' HB ' ' CE1' ' A' ' 34' ' ' PHE . 12.4 tt -119.16 144.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -128.07 106.37 9.02 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 t -102.51 154.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.977 0.418 . . . . 0.0 111.07 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.37 -39.66 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.775 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.99 -14.65 19.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.947 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 -150.86 32.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.068 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -83.81 134.79 34.7 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.8 mt -135.73 124.42 23.8 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.56 101.54 12.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 4.1 p90 -101.12 124.46 46.87 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.4 tt0 -129.34 117.35 20.49 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.573 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' A' ' 20' ' ' LEU . 44.7 mtmt 62.91 31.63 16.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.283 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.546 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 93.36 -4.53 73.71 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.902 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -103.24 121.96 43.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.711 0.767 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.18 13.32 9.72 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.093 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.53 0.175 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.092 -175.418 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 C--O 1.233 0.242 0 CA-C-O 120.723 0.218 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -35.99 70.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 53' ' ' ILE . 62.2 t -62.91 -47.91 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.93 -37.37 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.366 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.3 -38.35 86.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.961 0.41 . . . . 0.0 110.435 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -65.86 -38.43 88.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.507 177.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' VAL . 82.6 mt -58.3 -45.08 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.303 175.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.84 -48.06 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.646 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.86 -43.49 98.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.584 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 52' ' ' ALA . 60.0 mt -65.29 -47.17 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.502 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.556 HD22 HD12 ' A' ' 60' ' ' ILE . 8.6 m120 -66.73 -32.18 73.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD23 HG21 ' A' ' 13' ' ' VAL . 52.0 tp -57.55 -43.5 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.551 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.556 HD12 HD22 ' A' ' 57' ' ' ASN . 86.7 mt -61.26 -50.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.807 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.62 -31.1 69.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.957 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.99 86.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.361 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.71 -37.91 73.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.649 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 121.248 0.547 . . . . 0.0 110.373 176.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 24.5 mmt180 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 25' ' ' TRP . 72.1 t -103.24 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.851 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -95.93 116.24 66.09 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.007 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.85 2.09 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.8 2.334 . . . . 0.0 111.754 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.02 152.78 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.103 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -102.66 93.23 4.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.939 0.4 . . . . 0.0 110.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -126.07 92.27 46.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -48.27 -56.26 3.29 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.708 2.939 . . . . 0.0 113.898 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.05 -40.77 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.788 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.66 -45.16 95.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 110.539 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ALA . 77.2 mt -57.81 -45.08 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' A' ' 63' ' ' GLN . 75.1 t -62.23 -44.4 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.257 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -66.5 -34.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.148 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -68.49 -41.36 80.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.446 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -29.93 68.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.846 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.923 0.392 . . . . 0.0 111.015 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.0 -39.27 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.089 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.01 11.47 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.884 -172.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 21' ' ' THR . 4.0 pp -29.2 -33.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.466 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -109.91 97.79 7.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 0.0 109.979 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.25 -175.59 44.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.373 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -124.49 134.97 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 0.0 110.662 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 32' ' ' LEU . 9.5 tt -119.02 138.02 51.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.2 t90 -121.6 107.09 11.98 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.75 148.22 6.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.36 -30.38 67.29 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.033 0.444 . . . . 0.0 110.846 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.48 -58.09 3.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 49' ' ' VAL . 73.8 mt -84.76 -49.84 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.983 -172.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.23 -149.43 16.84 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -86.19 131.6 34.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -130.57 114.17 15.14 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.77 119.41 36.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 109.988 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 13.8 p90 -117.87 145.97 44.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -176.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 15.8 tp10 -137.57 134.23 35.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.104 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 60.4 mttm 64.31 17.53 10.79 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.351 0.407 . . . . 0.0 110.886 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -6.41 83.68 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.017 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -94.73 119.24 33.03 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.016 0.913 . . . . 0.0 110.06 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 16.8 m-85 -74.58 115.25 13.92 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.859 -1.518 . . . . 0.0 111.166 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.355 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.473 0.275 0 N-CA-C 113.054 0.367 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.88 -44.55 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.71 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' HA ' HD22 ' A' ' 29' ' ' LEU . 54.3 t -65.14 -45.97 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.347 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 58.3 mtpt -60.48 -40.85 92.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.39 -47.97 82.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.833 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 49' ' ' VAL . 80.3 mt -63.59 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 79.1 mt -64.7 -37.85 88.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.994 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.91 -42.9 99.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.12 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 60' ' ' ILE . 84.8 mt -64.97 -43.98 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.918 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -40.54 81.36 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.69 -50.79 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.445 0.641 . . . . 0.0 110.001 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 40.4 tp -60.08 -38.9 84.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.121 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.0 mt -57.96 -48.37 84.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.512 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.125 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.61 98.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 13' ' ' VAL . 17.6 mm-40 -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.103 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.996 -176.542 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.647 0.26 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 25' ' ' TRP . 53.9 t -106.44 132.37 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.802 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.46 107.03 43.64 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.001 0.429 . . . . 0.0 111.057 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.73 -6.64 17.05 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.029 2.486 . . . . 0.0 111.099 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.68 134.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.894 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -92.83 98.43 11.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.697 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -116.57 94.88 44.59 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.093 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 2.4 Cg_endo -46.72 -62.31 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.826 3.017 . . . . 0.0 113.488 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 59' ' ' LEU . 23.6 mmmt -53.92 -45.43 71.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.416 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -67.48 -47.61 69.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.69 -52.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 HG12 ' A' ' 60' ' ' ILE . 98.9 t -66.04 -36.86 78.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.343 -178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.05 -46.82 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.388 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.745 -176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.29 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 6.4 tmm_? -65.72 -23.41 66.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -98.38 -35.78 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.486 0.66 . . . . 0.0 110.43 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.3 m-85 -93.51 12.18 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.227 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -29.31 -22.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.468 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.7 t -111.89 100.64 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 119.188 0.903 . . . . 0.0 110.325 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.4 -166.15 39.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 t -127.64 140.4 49.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.63 0.252 . . . . 0.0 110.343 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 tt -125.29 127.63 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.889 0.376 . . . . 0.0 110.146 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB2' HG22 ' A' ' 3' ' ' VAL . 14.5 m95 -99.67 88.03 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.101 0.477 . . . . 0.0 110.953 -176.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.24 147.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -41.04 69.69 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -171.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -73.79 -46.56 44.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 32' ' ' LEU . 84.2 mt -90.44 -29.65 17.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.488 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.39 -154.24 18.98 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.796 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -72.15 120.57 17.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.747 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 29' ' ' LEU . 94.2 mt -115.41 114.15 24.7 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.63 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -93.5 139.22 30.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.116 0.484 . . . . 0.0 109.832 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.74 147.87 38.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.4 tt0 -144.51 144.88 31.56 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 176.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 22.8 mttp 66.15 16.57 10.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.575 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.65 5.14 89.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.813 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -115.46 111.92 21.5 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 122.311 1.053 . . . . 0.0 110.607 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.05 133.26 43.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.022 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.598 -177.498 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo . . . . . 0 CA--C 1.53 0.285 0 N-CA-C 113.96 0.715 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -59.85 -49.54 77.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.387 0.613 . . . . 0.0 110.846 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.27 -46.7 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.907 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.89 -41.86 95.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -59.63 -47.85 83.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.704 0.288 . . . . 0.0 110.871 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -62.01 -50.51 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.49 -42.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.988 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.71 92.54 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.055 0.455 . . . . 0.0 110.603 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.32 -33.27 71.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.295 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.6 mt -66.19 -43.24 87.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 174.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.582 HD22 HD12 ' A' ' 60' ' ' ILE . 14.3 m120 -58.17 -39.69 79.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.89 -43.22 85.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.888 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 10' ' ' LYS . 47.8 tp -67.12 -36.79 82.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.852 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.582 HD12 HD22 ' A' ' 57' ' ' ASN . 74.5 mt -63.42 -49.09 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 110.539 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.8 mm-40 -68.09 -23.7 64.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.78 76.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.112 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.37 -31.41 65.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.218 0.532 . . . . 0.0 110.255 174.905 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.76 119.33 57.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -116.82 109.1 43.57 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.85 -21.8 18.25 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.618 2.212 . . . . 0.0 111.759 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 m -104.68 130.48 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.945 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.41 97.65 10.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.457 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.28 96.47 28.02 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.98 -53.74 6.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.711 2.941 . . . . 0.0 113.293 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 59' ' ' LEU . 4.1 tppp? -50.35 -53.42 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.6 . . . . 0.0 111.494 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.11 -53.93 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.733 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 HG12 ' A' ' 60' ' ' ILE . 94.0 t -66.84 -37.66 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.24 -36.38 79.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -90.5 -13.06 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.81 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.38 64.14 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -64.04 -21.04 66.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.789 0.328 . . . . 0.0 111.636 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.98 -44.79 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.059 0.457 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.85 10.55 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 21' ' ' THR . 3.2 pp -32.96 -29.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 20' ' ' LEU . 1.8 t -114.37 106.27 14.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.078 0.399 . . . . 0.0 109.983 172.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.29 -150.1 15.55 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.748 -1.215 . . . . 0.0 113.136 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.68 135.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.377 0.608 . . . . 0.0 110.932 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.2 tt -123.38 140.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.901 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -114.8 111.59 21.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.19 152.88 5.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -72.01 -52.28 17.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.71 -48.67 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.28 -58.69 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.6 -152.05 20.14 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -87.18 128.27 35.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 24' ' ' ILE . 87.7 mt -117.65 144.02 45.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.42 . . . . 0.0 110.853 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -118.63 129.73 55.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.711 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -144.47 144.39 31.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 111.527 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 41.4 tt0 -134.2 136.9 44.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.134 175.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 97.8 mttt 65.56 20.45 11.65 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.16 0.505 . . . . 0.0 110.21 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.74 -14.34 58.63 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.199 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -94.14 123.71 37.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.155 0.979 . . . . 0.0 110.812 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -74.75 130.78 40.09 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.53 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.353 -178.626 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo . . . . . 0 N--CA 1.472 0.258 0 N-CA-C 113.185 0.417 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -60.75 -37.47 81.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.17 -44.51 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.689 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 85.5 tttt -60.57 -45.97 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.99 -45.08 94.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.765 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.15 -46.0 89.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.53 -40.13 83.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.662 0.268 . . . . 0.0 110.943 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.8 mt -65.47 -44.2 87.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -35.95 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 60' ' ' ILE . 56.8 mt -64.19 -45.69 87.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m-80 -59.91 -32.85 71.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.19 -52.89 61.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.734 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 10' ' ' LYS . 43.3 tp -59.13 -39.14 81.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.766 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.2 mt -59.15 -54.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.25 -27.65 66.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.891 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.62 -27.18 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 111.371 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -87.63 -17.0 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.867 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.391 173.438 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.632 ' HB3' HG12 ' A' ' 24' ' ' ILE . 6.0 tpp180 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 25' ' ' TRP . 59.2 t -103.81 128.71 56.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.965 0.412 . . . . 0.0 111.623 -176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -111.78 120.94 41.09 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.17 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.53 -25.62 47.69 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.988 2.458 . . . . 0.0 112.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -128.48 147.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -63.03 97.48 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -120.31 82.81 31.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.94 -54.57 4.86 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.803 3.002 . . . . 0.0 112.877 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -50.28 -47.91 55.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.405 -1.27 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD13 ' HB1' ' A' ' 8' ' ' ALA . 8.4 mp -66.71 -45.01 80.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -178.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.4 mt -58.35 -52.43 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.938 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 60' ' ' ILE . 77.1 t -61.0 -45.33 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.207 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.25 -27.33 65.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.188 -174.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -87.04 -24.86 24.47 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.206 -0.309 . . . . 0.0 110.824 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.62 -22.4 65.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 111.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -56.2 -38.18 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 110.738 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.12 -34.82 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 77.7 m-85 -89.0 9.59 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.799 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 21' ' ' THR . 3.1 pp -32.39 -27.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.499 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.1 t -113.1 101.26 9.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.454 0.57 . . . . 0.0 110.359 175.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.24 -165.71 38.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.844 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG22 ' HG3' ' A' ' 33' ' ' GLU . 14.8 t -132.8 135.56 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.632 HG12 ' HB3' ' A' ' 2' ' ' ARG . 14.0 mt -118.36 126.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.549 ' HB2' HG22 ' A' ' 3' ' ' VAL . 15.1 m95 -104.03 113.23 26.62 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.379 0.609 . . . . 0.0 111.132 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -105.09 146.51 12.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.0 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -70.85 -38.89 73.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.313 0.578 . . . . 0.0 110.433 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.6 -25.48 63.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.075 -175.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 49' ' ' VAL . 89.2 mt -118.45 -68.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 111.339 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.7 -136.22 6.32 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptp85 -79.2 130.2 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 39' ' ' PHE . 86.4 mt -116.65 90.56 3.36 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.557 ' HG3' HG22 ' A' ' 23' ' ' VAL . 31.5 tt0 -91.35 135.97 33.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 12.8 p90 -146.76 150.78 36.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.15 0.5 . . . . 0.0 111.034 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -141.19 131.91 25.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.331 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 63.31 19.84 11.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.31 0.381 . . . . 0.0 111.164 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.51 -8.94 76.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.7 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -96.08 117.66 31.13 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-O 121.49 0.662 . . . . 0.0 110.413 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 23.8 m-85 -58.19 121.85 11.73 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.344 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' A' ' 33' ' ' GLU . 85.0 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.011 0.434 . . . . 0.0 110.517 -176.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 CA--C 1.528 0.191 0 N-CA-C 113.316 0.468 . . . . 0.0 113.316 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.29 -48.29 80.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.8 t -76.47 -40.99 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.285 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 54' ' ' LEU . 61.6 tttp -57.29 -47.7 80.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.573 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.9 -39.67 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.718 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -64.69 -40.43 95.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 49' ' ' VAL . 76.0 mt -64.25 -32.86 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 50' ' ' LYS . 7.5 mp -63.66 -45.37 90.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.035 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.33 -41.05 92.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.2 mt -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.03 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 21.7 m-80 -63.2 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.09 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.224 0.535 . . . . 0.0 109.842 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 13' ' ' VAL . 42.7 tp -57.88 -40.12 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.451 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 56' ' ' LEU . 81.8 mt -57.24 -53.15 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.15 -46.28 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.83 71.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -82.05 -18.84 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.237 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.506 0.193 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 115.04 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.428 -175.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 25' ' ' TRP . 33.9 m -86.36 151.74 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 111.005 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 52.8 m-85 -132.16 103.38 14.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.35 -12.6 32.05 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.083 2.522 . . . . 0.0 112.249 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -125.17 157.86 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -80.56 -85.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . 53.17 81.05 0.27 Allowed Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 123.447 0.467 . . . . 0.0 111.943 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.58 -54.7 5.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.338 2.692 . . . . 0.0 113.538 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HG3' HD12 ' A' ' 11' ' ' LEU . 15.7 ptpt -65.44 -28.73 69.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.398 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' HG3' ' A' ' 10' ' ' LYS . 10.6 mp -72.62 -36.92 68.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.9 -54.12 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.499 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 60' ' ' ILE . 87.2 t -62.17 -44.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.224 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -58.96 -38.55 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.5 . . . . 0.0 110.913 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -85.71 -20.42 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.81 -17.27 63.99 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.547 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -58.71 -29.68 66.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.4 mt -100.14 -30.43 3.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.851 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -100.25 10.5 41.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.613 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD13 ' HA ' ' A' ' 36' ' ' LYS . 3.6 pp -29.3 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.61 ' N ' HD12 ' A' ' 20' ' ' LEU . 15.3 t -112.54 112.78 24.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.597 0.713 . . . . 0.0 110.456 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.62 -142.21 7.97 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.049 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.79 139.59 11.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 120.696 0.284 . . . . 0.0 110.436 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 34' ' ' PHE . 27.4 pt -120.23 152.6 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.651 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.542 ' HB2' HG12 ' A' ' 3' ' ' VAL . 17.0 m95 -120.48 79.49 1.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.768 176.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 3.7 t -72.6 142.38 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -11.56 59.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 32.3 t70 -94.54 -37.99 11.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' HA ' ' A' ' 49' ' ' VAL . 84.8 mt -103.8 -55.22 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 0.0 111.17 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 -143.16 14.65 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.028 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -79.29 113.57 17.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD11 HD12 ' A' ' 29' ' ' LEU . 89.8 mt -120.63 116.73 25.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.9 143.82 27.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.096 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -149.27 136.59 20.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' HG3' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -125.25 112.63 16.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.345 -175.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.714 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.9 mtmp? 55.15 48.23 20.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.754 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.41 -34.1 5.68 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.159 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -86.51 108.6 18.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 122.051 0.929 . . . . 0.0 111.659 -175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 28.9 m-85 -61.69 123.46 18.01 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 113.439 -1.709 . . . . 0.0 110.468 172.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.63 153.81 17.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.27 -174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.08 110.43 46.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.735 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.41 -43.56 50.59 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 111.351 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -167.01 -163.77 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.893 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -59.84 -55.26 36.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.306 . . . . 0.0 110.28 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.8 m 61.2 -164.24 0.24 Allowed 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.221 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 mp -82.24 143.34 48.51 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.88 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -49.18 -37.76 39.72 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.197 2.598 . . . . 0.0 112.518 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -50.54 -50.32 53.65 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.5 t -74.22 -43.64 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.936 -176.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 54' ' ' LEU . 60.9 tttm -61.8 -48.09 82.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.954 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.27 -35.25 77.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.615 0.245 . . . . 0.0 110.849 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.87 -47.09 87.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.25 -36.49 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 50' ' ' LYS . 8.2 mp -64.31 -45.83 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.808 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -69.27 -28.11 66.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' O ' HG13 ' A' ' 60' ' ' ILE . 69.0 mt -65.82 -44.75 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 27.9 m-80 -65.42 -32.88 74.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.955 0.407 . . . . 0.0 110.713 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.34 -49.36 77.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.54 0.686 . . . . 0.0 109.722 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 10' ' ' LYS . 41.9 tp -60.9 -38.36 85.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.651 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -56.68 -49.09 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.579 176.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.63 -18.24 63.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.033 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.38 -42.94 28.89 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.782 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -75.49 -36.44 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.467 . . . . 0.0 110.507 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -76.08 -70.31 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.205 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 69.79 -38.91 0.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.73 0.812 . . . . 0.0 112.818 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -70.35 -65.01 0.78 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.632 0.253 . . . . 0.0 111.094 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.0 m 56.86 85.65 0.08 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.377 0.608 . . . . 0.0 110.143 -172.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -75.9 115.68 15.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.56 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.41 HG22 ' HG3' ' A' ' 72' ' ' GLU . 10.1 p -72.32 112.0 8.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.137 -174.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.16 -51.28 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.884 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.9 mt -138.15 30.05 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.986 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HG3' HG22 ' A' ' 69' ' ' THR . 4.5 mm-40 -63.79 -28.76 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.993 -176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 77.68 134.05 0.06 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.818 172.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.062 173.167 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.929 0.395 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 7.5 tpm_? -133.11 113.22 12.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.99 142.92 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.9 m-85 -130.7 111.89 16.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' PHE . 20.6 Cg_exo -66.47 -22.38 51.94 Favored 'Trans proline' 0 C--N 1.34 0.101 0 C-N-CA 122.844 2.363 . . . . 0.0 111.727 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 t -125.09 139.67 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.611 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -83.15 80.44 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.533 0.683 . . . . 0.0 109.994 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -106.9 101.15 35.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.092 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -40.91 -57.96 1.17 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.09 3.194 . . . . 0.0 114.415 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' HB1' ' A' ' 8' ' ' ALA . 10.0 mp -63.99 -40.27 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.963 0.411 . . . . 0.0 110.327 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.83 -54.47 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG13 HG12 ' A' ' 60' ' ' ILE . 98.8 t -61.96 -41.49 91.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.588 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -57.15 -41.0 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -84.9 -28.7 25.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.21 69.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.722 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -67.02 -23.97 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.057 0.456 . . . . 0.0 110.693 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -95.03 -43.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.202 0.525 . . . . 0.0 110.392 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -93.35 10.39 32.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.537 -175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -32.03 -26.33 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.547 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.8 t -116.09 116.38 27.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.737 0.699 . . . . 0.0 110.743 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.08 -148.9 20.52 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG12 ' HG2' ' A' ' 33' ' ' GLU . 34.2 m -125.07 152.09 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.824 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 34' ' ' PHE . 10.8 tt -131.53 143.87 39.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.679 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 31' ' ' ARG . 2.1 t90 -130.24 107.72 9.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.2 143.71 12.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.42 -39.95 81.39 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.866 0.365 . . . . 0.0 110.964 -176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.24 -35.36 73.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.842 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.92 -76.68 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.118 0.485 . . . . 0.0 111.076 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.18 -157.14 27.82 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' ' CE3' ' A' ' 25' ' ' TRP . 25.3 ttm180 -86.07 125.11 33.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.613 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' HG23 ' A' ' 24' ' ' ILE . 44.4 mt -126.23 171.12 11.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' HG2' HG12 ' A' ' 23' ' ' VAL . 40.4 mt-10 -123.97 170.87 10.19 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -164.07 147.11 9.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.62 0.724 . . . . 0.0 112.222 172.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.516 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 10.4 tp10 -136.14 139.29 42.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 169.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 41.1 mtmt 64.09 11.94 6.6 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.48 0.488 . . . . 0.0 111.018 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.464 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 62.62 38.04 95.75 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.092 -174.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 -110.48 -2.67 16.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.614 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 19.4 m-85 67.69 127.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.079 0.942 . . . . 0.0 113.354 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 73.0 mt -125.13 137.42 54.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.234 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD21 ' HE2' ' A' ' 50' ' ' LYS . 1.7 pp -110.73 156.47 40.57 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.141 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -75.93 -172.18 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.793 2.329 . . . . 0.0 111.751 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -68.84 -44.55 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.118 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.73 107.58 18.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 49' ' ' VAL . 34.9 t -118.45 -30.64 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.843 -177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 45' ' ' SER . 95.8 mt 77.65 132.58 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.208 0 C-N-CA 123.745 0.818 . . . . 0.0 110.136 -176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.1 Cg_exo -49.58 -41.64 44.41 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.022 2.482 . . . . 0.0 112.412 -178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -62.75 -32.61 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.489 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 45' ' ' SER . 84.7 t -82.91 -35.76 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.905 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE2' HD21 ' A' ' 41' ' ' LEU . 59.6 tttm -66.35 -33.3 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.102 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 47' ' ' PRO . 29.3 mm-40 -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.925 0.393 . . . . 0.0 110.343 174.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -66.0 -39.53 90.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.368 177.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 49' ' ' VAL . 79.1 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.53 176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.45 -36.67 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.69 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -44.5 96.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.623 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.1 mt -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.617 176.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.46 HD21 ' HB2' ' A' ' 39' ' ' PHE . 6.6 m120 -57.22 -44.74 84.02 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 58' ' ' GLU . 18.9 tp10 -61.45 -47.9 83.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.991 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 58.8 tp -54.61 -42.28 70.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.887 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 56' ' ' LEU . 79.9 mt -57.63 -56.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -68.19 -30.18 69.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.665 -178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.43 63.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 111.016 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 25.4 mt-30 -94.43 -35.46 12.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.02 -54.57 36.1 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -85.4 67.37 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.586 0.707 . . . . 0.0 110.635 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -115.4 -33.14 5.38 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.473 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 68' ' ' LYS . 1.5 m 55.59 -140.31 0.91 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.329 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' H ' HG22 ' A' ' 67' ' ' THR . 63.3 tttp -110.15 -13.53 14.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.433 0.635 . . . . 0.0 109.869 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 72' ' ' GLU . 17.7 m -78.27 130.83 36.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.314 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.88 90.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 tp 62.21 107.45 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 O-C-N 124.123 0.889 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HG2' ' HB ' ' A' ' 69' ' ' THR . 43.4 mt-10 -80.51 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.076 -176.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -74.29 87.88 2.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.906 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.9 t60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 -176.462 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.672 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 65.1 mtm . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 2' ' ' ARG . 9.0 mmm180 -100.4 145.33 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -124.65 130.41 73.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.758 0.314 . . . . 0.0 110.297 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -125.96 111.07 24.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.295 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 73.8 Cg_endo -75.52 1.09 8.37 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.963 2.442 . . . . 0.0 112.763 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.17 140.43 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.206 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 48.5 t80 -83.14 92.73 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.124 0.487 . . . . 0.0 110.015 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.08 90.11 51.53 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.671 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -42.94 -51.09 5.71 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.683 2.922 . . . . 0.0 112.87 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -49.02 -57.11 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.447 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.45 -40.77 96.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.113 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.63 -56.2 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 60' ' ' ILE . 95.4 t -65.05 -34.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.32 -43.91 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 110.865 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -84.1 -27.57 28.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.172 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.45 -25.6 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.639 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -64.46 -23.8 67.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.089 0.471 . . . . 0.0 110.692 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -100.24 -46.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.186 0.517 . . . . 0.0 110.515 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.1 10.04 15.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.869 -176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -31.77 -27.39 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -174.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 ' N ' HD12 ' A' ' 20' ' ' LEU . 6.3 t -115.88 97.37 6.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 119.245 0.93 . . . . 0.0 110.378 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.2 -167.5 36.76 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 26.3 t -123.06 136.67 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 39' ' ' PHE . 11.2 tt -121.78 141.59 41.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -120.63 100.03 6.89 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 t -90.41 147.36 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 12.5 tppt? -76.29 -31.18 58.09 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 -176.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 3.9 m-20 -91.89 5.33 50.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.393 -177.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 96.3 mt -139.13 -61.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 111.238 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.6 -153.79 20.61 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -84.07 130.61 34.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.089 0.471 . . . . 0.0 110.886 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -134.32 136.2 43.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.815 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 23' ' ' VAL . 39.1 mt-10 -108.76 135.62 49.67 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 14.4 p90 -134.38 152.47 51.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.085 0.469 . . . . 0.0 111.612 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -140.39 136.29 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.603 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp 65.14 17.49 11.07 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.954 0.406 . . . . 0.0 110.46 -175.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.55 -17.45 52.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.759 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -90.96 116.54 28.85 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.355 1.074 . . . . 0.0 110.673 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.673 ' HE2' HG21 ' A' ' 24' ' ' ILE . 83.7 m-85 -56.25 125.69 22.92 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.442 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -91.54 108.51 19.95 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.3 tp -95.65 103.75 13.84 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.81 -62.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.364 2.043 . . . . 0.0 111.831 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -134.2 162.68 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.768 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -60.6 130.85 48.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -135.28 -82.38 0.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 49' ' ' VAL . 34.7 tp -109.11 124.64 33.52 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' HD12 ' A' ' 46' ' ' LEU . 55.3 Cg_exo -53.37 -39.3 82.02 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.272 2.648 . . . . 0.0 113.44 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.38 -32.83 73.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.83 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.579 HG23 HD23 ' A' ' 46' ' ' LEU . 63.7 t -69.48 -41.49 80.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -60.04 -47.14 87.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.712 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 7.5 tp60 -58.84 -45.74 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.323 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -57.12 -52.3 65.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 39' ' ' PHE . 74.1 mt -56.95 -44.68 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.133 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.468 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 42.3 mt-10 -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.544 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 85.6 mt -64.62 -44.96 88.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.681 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -61.99 -34.84 76.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.81 -51.46 69.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.416 0.627 . . . . 0.0 109.814 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -61.26 -38.12 85.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.922 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 94.0 mt -58.34 -55.24 23.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.669 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 34.6 tt0 -67.66 -30.58 70.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -176.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.64 83.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.225 0.536 . . . . 0.0 110.511 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -82.09 -32.07 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.398 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.624 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 26.3 t-20 -60.95 -39.21 88.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.76 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.86 -30.26 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.692 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 60.93 84.92 0.12 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.47 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -152.37 112.38 4.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.359 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 33.3 ttmt -71.19 126.88 30.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.894 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 p -68.68 162.84 25.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 112.457 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.64 -156.44 0.27 Allowed 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.519 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.4 tp -75.27 84.98 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.223 0.535 . . . . 0.0 110.766 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -91.13 4.2 52.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.379 0.609 . . . . 0.0 110.263 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -85.2 94.3 8.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.711 176.041 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 24' ' ' ILE . 42.6 ttm180 -88.77 106.25 18.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.622 HG12 ' HB2' ' A' ' 25' ' ' TRP . 20.1 m -88.63 141.93 13.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -176.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -124.32 105.76 30.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.688 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . 14.9 Cg_exo -69.6 -22.07 33.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.747 2.298 . . . . 0.0 111.431 176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.52 154.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.253 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -100.85 103.8 15.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -115.76 97.03 48.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.27 -63.17 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.448 2.766 . . . . 0.0 113.534 -171.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.06 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.723 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.92 -43.25 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 8' ' ' ALA . 81.5 mt -60.19 -52.28 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.658 0.266 . . . . 0.0 110.644 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG13 HG12 ' A' ' 60' ' ' ILE . 66.3 t -63.1 -41.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.24 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.08 -29.77 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.182 0.515 . . . . 0.0 111.133 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -91.57 -9.74 43.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.976 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.44 -11.84 44.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.399 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -57.13 -43.4 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.769 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.4 mt -94.66 -30.46 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.423 0.63 . . . . 0.0 110.982 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -98.08 12.1 35.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.072 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 21' ' ' THR . 1.9 pp -35.67 -17.68 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.0 t -112.18 100.16 8.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.08 0.854 . . . . 0.0 110.347 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.74 -165.82 38.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.401 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 33' ' ' GLU . 19.9 m -129.5 146.73 33.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.971 0.415 . . . . 0.0 111.295 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 2' ' ' ARG . 23.8 mt -131.62 133.88 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.248 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.622 ' HB2' HG12 ' A' ' 3' ' ' VAL . 11.7 m95 -110.11 94.94 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.944 0.402 . . . . 0.0 110.71 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 28' ' ' ASP . 5.2 t -86.6 150.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HG2' ' HA ' ' A' ' 5' ' ' PRO . 72.4 mmtt -68.55 -24.5 64.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 111.156 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' H ' HG12 ' A' ' 26' ' ' VAL . 14.7 t70 -86.11 -51.6 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.086 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.718 HD12 HD11 ' A' ' 32' ' ' LEU . 89.7 mt -90.58 -16.75 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.055 -173.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -80.94 1.21 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.716 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -140.52 124.12 17.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 29' ' ' LEU . 92.7 mt -117.62 130.89 56.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 23' ' ' VAL . 34.4 mt-10 -114.46 129.36 56.65 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 27.7 p90 -140.34 143.56 35.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.13 0.49 . . . . 0.0 111.462 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -132.68 127.42 34.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.586 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 66.84 23.48 10.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.676 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 99.24 -23.2 37.28 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.442 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -85.25 102.84 13.68 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.955 0.883 . . . . 0.0 111.043 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 50.3 m-85 -55.07 123.4 13.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 113.455 -1.702 . . . . 0.0 110.791 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -95.92 129.64 43.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' A' ' 42' ' ' PRO . 51.9 tp -75.23 120.67 82.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.045 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' HD12 ' A' ' 41' ' ' LEU . 8.0 Cg_exo -68.59 82.12 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.221 2.614 . . . . 0.0 112.372 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 66.79 -80.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.474 0.71 . . . . 0.0 111.655 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -142.99 -41.76 0.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.634 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.2 p 55.8 -95.52 0.05 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.305 1.042 . . . . 0.0 112.681 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 48' ' ' LYS . 5.7 tt -160.47 140.45 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.65 -48.08 14.59 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.467 2.778 . . . . 0.0 113.652 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' H ' HD23 ' A' ' 46' ' ' LEU . 47.5 tttm -58.74 -41.89 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 0.0 110.92 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 HD22 ' A' ' 29' ' ' LEU . 99.3 t -66.51 -43.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.292 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 57.2 mtpt -58.05 -44.86 87.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.356 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -55.82 -43.66 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.905 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.98 -38.81 83.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 49' ' ' VAL . 43.3 mm -60.88 -48.05 90.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 110.273 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 78.2 mt -60.54 -40.02 90.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.057 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.67 -43.13 99.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.632 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.58 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.8 mt -64.29 -46.68 82.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.714 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -41.67 87.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.712 0.291 . . . . 0.0 110.456 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.4 -51.97 67.58 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.726 176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 53.1 tp -58.08 -45.03 87.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.484 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.1 mt -57.06 -52.95 49.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 110.582 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.15 -25.2 66.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.758 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.29 -22.61 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.437 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 66.1 mt-30 -76.12 -41.22 50.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.01 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -75.55 -71.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.969 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.2 t60 54.64 39.13 31.04 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.365 0.602 . . . . 0.0 111.236 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -100.89 153.3 19.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.755 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 p -89.82 10.06 25.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -75.93 87.11 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.126 0.489 . . . . 0.0 110.677 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.9 p -79.88 63.04 4.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.628 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.35 13.12 2.26 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.189 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp 60.91 24.4 14.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.126 0.488 . . . . 0.0 110.626 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -85.21 -63.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.239 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 73.29 -83.43 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.381 0.673 . . . . 0.0 112.668 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.3 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.0 0.429 . . . . 0.0 111.421 -174.67 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -152.04 140.66 20.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.364 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.54 126.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.15 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -109.5 114.13 57.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.01 0.433 . . . . 0.0 111.501 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 5.5 Cg_exo -78.57 -2.12 12.2 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.045 2.497 . . . . 0.0 111.769 175.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.28 127.81 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -87.5 103.09 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.11 104.46 13.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -44.51 -58.66 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.917 3.078 . . . . 0.0 114.09 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.09 -39.37 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.724 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.66 -37.86 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.72 0.295 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.56 -52.02 65.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.568 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG13 HG12 ' A' ' 60' ' ' ILE . 87.1 t -62.65 -44.07 99.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.561 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -62.38 -36.97 83.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.257 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -79.45 -29.57 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.736 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.7 68.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.312 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -26.82 68.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.9 mt -101.21 -37.38 5.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -90.64 8.48 34.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.412 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 21' ' ' THR . 2.8 pp -29.93 -34.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 -175.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.568 ' N ' HD12 ' A' ' 20' ' ' LEU . 9.2 t -111.41 94.09 4.8 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.553 0.692 . . . . 0.0 110.195 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.1 -153.77 14.44 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.69 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.96 136.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 32' ' ' LEU . 5.6 tt -120.65 120.05 61.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 109.749 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -99.98 113.57 26.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.151 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -109.33 145.78 15.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 44.0 mtmt -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.647 -174.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -88.13 0.52 55.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.171 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.62 -59.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.951 0.405 . . . . 0.0 110.746 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.25 -156.33 22.33 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -88.15 116.55 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.22 0.534 . . . . 0.0 110.098 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -103.51 105.39 15.62 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.14 130.26 35.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.808 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.08 135.62 29.33 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.118 -177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 23.8 tt0 -125.88 127.36 45.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.757 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.544 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 55.3 mttp 63.4 21.93 13.02 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.408 0.442 . . . . 0.0 110.399 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.35 -14.58 62.12 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.134 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 102.62 14.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.724 0.773 . . . . 0.0 109.744 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -52.62 120.59 5.85 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.877 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.4 mt -82.27 -3.4 55.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.702 0.763 . . . . 0.0 110.545 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 53' ' ' ILE . 3.6 mm? -114.42 96.0 41.59 Favored Pre-proline 0 C--N 1.31 -1.143 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.874 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -99.84 -106.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.746 2.964 . . . . 0.0 112.672 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 19.6 mtm-85 -89.01 -18.72 26.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.557 0.694 . . . . 0.0 109.567 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.55 71.84 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.168 173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.8 p -159.4 -165.98 1.69 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.061 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.03 141.87 63.6 Favored Pre-proline 0 C--O 1.221 -0.447 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -43.97 -56.81 2.23 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.523 2.815 . . . . 0.0 114.264 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 88.3 tttt -72.41 -35.89 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.128 0.49 . . . . 0.0 110.992 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' ILE . 59.9 t -68.78 -37.17 77.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.127 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HG3' ' HA ' ' A' ' 43' ' ' ARG . 34.9 ttpt -55.03 -54.03 48.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.474 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -66.08 -25.57 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.602 -178.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -72.94 -43.64 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.589 HG21 ' O ' ' A' ' 41' ' ' LEU . 93.4 mt -61.74 -44.71 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.343 176.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 97.7 mt -58.58 -44.64 89.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.58 -41.62 99.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.364 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.1 mt -63.34 -45.97 88.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.9 OUTLIER -58.69 -39.93 82.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.33 -45.87 82.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.044 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.35 -35.12 76.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.841 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 56' ' ' LEU . 83.7 mt -57.1 -53.86 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -40.97 96.22 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.313 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.82 -43.85 66.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.523 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.99 -35.03 50.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.505 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.8 OUTLIER -77.16 -30.04 54.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 111.512 -176.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -80.7 -21.95 40.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.778 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 67' ' ' THR . 48.0 tt0 -97.03 147.21 24.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.15 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 6.6 t -92.87 171.95 8.65 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.53 158.29 34.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.738 0.304 . . . . 0.0 111.0 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 p -70.49 113.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.72 -177.66 0.21 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.915 0.76 . . . . 0.0 109.74 -171.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp 64.66 28.89 13.11 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.177 0.513 . . . . 0.0 110.09 -176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -69.22 -8.51 46.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.985 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 43.37 51.9 5.9 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.075 0.86 . . . . 0.0 111.591 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.734 179.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 20.0 mmt180 -107.45 141.63 38.57 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.953 -175.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 25' ' ' TRP . 48.6 t -126.66 127.07 69.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.582 177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 24' ' ' ILE . 55.6 m-85 -120.73 98.52 47.9 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 111.077 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 12.7 Cg_exo -71.26 -32.78 12.29 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.7 2.267 . . . . 0.0 111.677 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.73 -37.27 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.086 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.8 t80 57.2 86.96 0.07 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.452 0.644 . . . . 0.0 111.136 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -123.8 100.02 37.86 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.807 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -38.1 -60.7 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 124.178 3.252 . . . . 0.0 114.569 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.796 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.28 -34.89 78.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.592 -174.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.796 HD12 ' HG2' ' A' ' 10' ' ' LYS . 9.2 mp -67.66 -41.38 83.86 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.718 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.32 -48.83 85.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.404 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 61.1 t -66.51 -37.82 80.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.37 -31.21 71.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 111.081 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -81.38 -32.05 33.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 110.176 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.37 66.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.059 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 13' ' ' VAL . 13.0 mmm180 -58.06 -30.8 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.257 0.551 . . . . 0.0 110.371 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -100.77 -40.83 8.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.765 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 28.8 m-85 -87.24 10.33 17.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 -177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.506 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.9 pp -29.2 -31.55 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' HD12 ' A' ' 20' ' ' LEU . 8.4 t -116.56 90.78 3.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.027 0.83 . . . . 0.0 110.153 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.23 -169.98 38.37 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 1' ' ' MET . 41.5 t -124.19 140.23 48.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-O 120.912 0.387 . . . . 0.0 110.425 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 4' ' ' PHE . 9.2 tt -131.8 138.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.782 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.558 ' HB2' HG22 ' A' ' 3' ' ' VAL . 12.6 m95 -109.67 124.51 51.33 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 121.651 0.739 . . . . 0.0 110.554 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.555 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.4 t -108.84 141.81 23.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.268 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 36.8 ttpt -66.08 -35.92 81.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -97.97 1.4 47.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.343 -173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 90.5 mt -125.9 -50.54 1.58 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.359 . . . . 0.0 111.522 -177.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.1 -144.16 17.12 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -86.03 137.79 32.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.02 0.41 . . . . 0.0 110.344 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 24' ' ' ILE . 94.8 mt -126.65 110.21 12.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -102.07 118.06 36.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.557 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' HE1' ' O ' ' A' ' 19' ' ' PHE . 11.1 p90 -126.36 158.16 36.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.915 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.625 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 40.5 tt0 -136.45 135.55 38.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.754 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 59.9 mttm 65.11 17.63 11.13 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.487 0.492 . . . . 0.0 110.985 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.75 21.11 66.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.773 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -124.16 110.73 15.05 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.936 0.874 . . . . 0.0 109.755 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.425 ' HB2' HD21 ' A' ' 57' ' ' ASN . 48.9 m-85 -53.89 126.15 21.27 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.987 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 83.3 mt -81.52 154.76 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.457 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 41' ' ' LEU . 2.8 mm? -103.59 103.59 37.05 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.7 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 88.2 Cg_endo -90.2 131.1 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 176.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -78.26 163.5 25.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.4 tttt 60.66 80.41 0.21 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.694 0.759 . . . . 0.0 109.803 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 p -143.61 175.35 10.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.496 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.28 139.08 52.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.765 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.99 -52.53 8.55 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 123.384 2.723 . . . . 0.0 112.954 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.95 -47.47 86.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.842 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 53' ' ' ILE . 56.0 t -65.15 -47.42 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.195 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -56.09 -56.85 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.982 0.42 . . . . 0.0 110.767 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.053 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.45 -45.59 75.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.723 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.2 mt -60.53 -40.85 85.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.903 0.382 . . . . 0.0 110.601 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.23 -41.91 89.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -80.68 -21.63 41.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.165 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 60' ' ' ILE . 48.1 mt -67.57 -38.25 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.425 HD21 ' HB2' ' A' ' 39' ' ' PHE . 12.0 m120 -63.32 -39.32 94.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.041 174.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -59.27 -50.54 73.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.486 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.77 -33.12 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.244 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.7 mt -60.44 -56.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 110.378 175.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 11.6 tp10 -74.75 -10.13 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.645 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.97 34.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.909 0.385 . . . . 0.0 110.085 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -81.4 -33.21 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.134 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.518 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 4.9 m-20 -67.82 -72.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 170.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.8 t60 58.63 29.06 18.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.673 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.64 -27.26 29.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.177 -172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 t -68.28 113.71 6.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.425 0.631 . . . . 0.0 110.439 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -85.33 41.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.87 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.18 34.47 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -176.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.7 89.5 7.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.076 0.465 . . . . 0.0 109.836 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 71' ' ' LEU . 3.4 mm? -95.58 165.68 12.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.499 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -78.97 -10.51 59.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.778 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -112.96 63.73 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.448 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.7 m80 . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.767 177.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.583 ' HG2' ' H ' ' A' ' 23' ' ' VAL . 85.3 mtp . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -157.88 143.23 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.413 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.04 133.17 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 m-85 -113.34 108.86 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 120.982 0.42 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 13.2 Cg_exo -71.0 -15.61 32.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.128 2.552 . . . . 0.0 112.407 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.42 143.79 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.888 0.375 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -92.27 96.1 10.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.82 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -121.12 102.84 43.1 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.936 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -37.89 -61.61 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 124.468 3.445 . . . . 0.0 114.438 -174.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -70.15 -40.2 74.92 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.008 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 75.9 mt -66.11 -34.38 77.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.434 -175.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 8' ' ' ALA . 80.6 mt -63.35 -52.39 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 60' ' ' ILE . 99.5 t -58.27 -46.53 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.441 0.639 . . . . 0.0 110.839 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.0 -28.34 69.74 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.652 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.15 -29.61 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.524 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -21.93 66.72 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 110.57 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -54.07 -30.12 46.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.056 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.58 -43.1 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.241 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -97.66 9.81 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.611 -172.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 21' ' ' THR . 2.5 pp -34.99 -21.74 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -171.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -116.44 122.01 43.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 119.47 1.032 . . . . 0.0 111.062 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.86 -151.26 22.99 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.158 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.583 ' H ' ' HG2' ' A' ' 1' ' ' MET . 39.3 t -118.44 128.54 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 32' ' ' LEU . 8.0 tt -109.84 135.54 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -113.77 111.62 22.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.02 0.438 . . . . 0.0 110.58 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -110.19 148.1 13.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 67.0 mttm -72.59 -34.28 67.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.014 0.435 . . . . 0.0 111.205 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.73 -6.78 59.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.056 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 mt -129.05 -53.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.91 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.95 -150.33 17.15 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -88.61 134.45 33.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.312 0.556 . . . . 0.0 109.783 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 72.4 mt -128.06 147.14 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 110.686 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.84 105.87 16.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -119.49 141.68 48.96 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.887 -176.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -140.71 117.29 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.298 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 62.43 28.55 16.87 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.67 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.63 -17.5 58.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.228 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -85.22 131.59 34.4 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.462 0.648 . . . . 0.0 109.709 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.08 -19.21 22.57 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.942 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp 52.95 -169.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.823 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.24 98.37 48.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 165.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.65 87.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.343 2.696 . . . . 0.0 113.065 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.54 -94.84 0.05 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.688 0.618 . . . . 0.0 111.518 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -115.78 105.91 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 p -103.88 153.2 21.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.662 -174.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mm? -64.69 138.85 97.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.707 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 32.9 Cg_exo -59.0 -35.46 98.55 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 111.123 176.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -56.17 -53.7 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.461 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.23 -25.87 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.433 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.28 -41.94 93.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -45.03 93.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.461 -0.791 . . . . 0.0 108.963 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.16 -52.66 61.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.266 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -53.02 -48.65 52.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.673 0.273 . . . . 0.0 111.386 177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.42 -38.95 91.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.3 . . . . 0.0 111.17 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -67.71 -38.81 84.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.217 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.1 mt -60.48 -49.23 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.297 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.564 HD22 HD12 ' A' ' 60' ' ' ILE . 10.8 m120 -59.69 -39.21 83.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.832 0.349 . . . . 0.0 110.909 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -62.91 -46.78 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.345 0.593 . . . . 0.0 109.686 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.71 -41.01 94.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.11 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 56' ' ' LEU . 76.9 mt -55.19 -54.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HA ' ' HB2' ' A' ' 64' ' ' ASN . 42.4 mt-10 -74.52 -19.09 60.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.658 -176.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.62 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.38 -36.43 76.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.137 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.576 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 6.2 m-20 -68.65 -31.21 70.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.043 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 9.0 m-70 -58.28 -67.26 0.37 Allowed 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 65' ' ' HIS . 5.0 tp-100 167.72 2.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 124.354 1.033 . . . . 0.0 109.88 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 ' H ' ' H ' ' A' ' 66' ' ' GLN . 4.2 m 59.55 40.32 20.5 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.854 0.835 . . . . 0.0 109.147 -172.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.85 -40.38 24.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.763 -171.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.3 t -63.94 116.76 6.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.627 0.727 . . . . 0.0 111.865 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.77 -0.97 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.944 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.79 -64.12 1.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.048 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.88 -42.34 60.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -98.31 82.08 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.857 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.273 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 64.5 mtt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.679 0.276 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 3.5 tpm_? -156.33 127.72 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 25' ' ' TRP . 49.2 t -101.68 126.95 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.78 0.324 . . . . 0.0 110.344 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' HE2' HD23 ' A' ' 11' ' ' LEU . 13.0 m-85 -105.67 110.6 64.37 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.58 -1.15 11.32 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.624 2.216 . . . . 0.0 111.601 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.8 152.87 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.26 -83.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.303 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.66 88.87 0.1 Allowed Pre-proline 0 N--CA 1.466 0.374 0 C-N-CA 123.217 0.607 . . . . 0.0 112.209 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -45.67 -56.84 2.52 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.497 2.798 . . . . 0.0 113.971 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HG2' HD21 ' A' ' 59' ' ' LEU . 93.5 mttt -71.45 -24.28 61.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.495 -175.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HE2' ' A' ' 4' ' ' PHE . 9.5 tt -71.57 -37.79 71.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 79.1 mt -59.66 -57.3 12.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 174.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 60' ' ' ILE . 73.8 t -54.6 -43.09 63.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.705 -178.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -63.46 -35.29 79.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.483 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.34 -24.38 23.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 111.407 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.74 69.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.119 -174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.8 ttt-85 -71.76 -10.35 59.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.38 . . . . 0.0 111.078 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.2 mt -90.66 -46.34 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.687 0.756 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -100.79 11.33 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.195 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.583 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -36.5 -19.7 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.9 t -117.89 98.89 6.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.437 0.637 . . . . 0.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.3 -141.96 7.71 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.756 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 1' ' ' MET . 41.2 t -130.18 133.58 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.62 0.248 . . . . 0.0 110.43 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.5 tt -112.43 124.83 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.889 0.376 . . . . 0.0 110.06 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.451 ' HB2' HG22 ' A' ' 3' ' ' VAL . 13.7 m95 -99.53 102.19 13.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.232 0.539 . . . . 0.0 110.822 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -96.39 142.37 14.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.073 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -77.13 -22.41 52.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -89.4 -15.57 32.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.869 0.366 . . . . 0.0 111.492 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD22 HG22 ' A' ' 49' ' ' VAL . 96.2 mt -128.51 -46.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 111.445 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.7 -160.28 22.25 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 20.4 ptt180 -79.97 130.71 35.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.317 0.558 . . . . 0.0 110.447 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.1 mt -117.17 150.57 38.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.629 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -108.44 131.97 54.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.909 0.385 . . . . 0.0 110.358 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.94 143.7 33.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.157 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -136.58 136.5 39.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.692 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' A' ' 20' ' ' LEU . 9.6 ptpp? 47.51 31.95 2.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.905 0.882 . . . . 0.0 112.203 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.583 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 91.17 -7.38 80.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -99.01 107.31 19.7 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.055 0.931 . . . . 0.0 110.839 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 53' ' ' ILE . 39.6 m-85 -60.14 116.99 4.6 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.527 169.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.3 119.58 9.92 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.336 0.398 . . . . 0.0 110.887 -175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HD2' ' A' ' 42' ' ' PRO . 2.2 tm? -80.26 115.3 53.76 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.583 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.499 ' HD2' HD22 ' A' ' 41' ' ' LEU . 73.8 Cg_endo -80.87 126.72 5.93 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.71 2.274 . . . . 0.0 111.704 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -64.53 -62.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 -175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -88.24 91.3 8.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.48 ' HB3' ' HG2' ' A' ' 42' ' ' PRO . 15.4 p -131.66 165.14 24.37 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 -176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.67 142.37 65.92 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.45 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.0 -44.21 43.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.254 2.636 . . . . 0.0 113.215 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -68.77 -25.77 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 111.497 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG22 HD22 ' A' ' 29' ' ' LEU . 41.7 t -83.09 -46.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 109.649 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -59.38 -44.86 92.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.908 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.97 -44.91 95.75 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -60.84 -51.96 67.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 39' ' ' PHE . 72.2 mt -62.74 -47.46 92.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.58 -31.84 71.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.142 -178.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 54' ' ' LEU . 34.4 tt0 -68.35 -40.03 81.64 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 60' ' ' ILE . 93.6 mt -62.33 -46.39 88.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.516 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -62.31 -40.36 96.07 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.987 0.422 . . . . 0.0 110.625 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.38 -43.93 89.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.144 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.606 HD21 ' HG2' ' A' ' 10' ' ' LYS . 51.8 tp -59.09 -43.08 91.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.877 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.556 HG12 HG13 ' A' ' 13' ' ' VAL . 86.2 mt -59.72 -50.03 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.662 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 65' ' ' HIS . 21.9 mm-40 -76.55 -0.85 24.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.752 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.74 -49.62 7.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -66.02 -54.04 30.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.502 HD21 ' HB ' ' A' ' 67' ' ' THR . 30.5 t30 -71.08 -76.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 9.5 p-80 58.03 -36.32 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.717 1.607 . . . . 0.0 114.875 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.92 0.22 28.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -172.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.502 ' HB ' HD21 ' A' ' 64' ' ' ASN . 13.6 t -72.85 -24.49 60.89 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -91.95 101.91 14.48 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 171.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.7 m -51.65 -38.58 55.45 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.653 0.596 . . . . 0.0 112.101 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.55 -4.04 0.79 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.973 0.509 . . . . 0.0 111.888 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.3 tp -76.04 -3.91 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.703 0.763 . . . . 0.0 109.866 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -81.85 7.37 12.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.024 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -85.68 113.43 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 0.0 110.02 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.3 t60 . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.85 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' ARG . 66.1 mtt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HA ' ' NH1' ' A' ' 2' ' ' ARG . 10.9 mmm180 -123.42 136.44 54.62 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.826 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.05 131.76 69.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.733 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -127.86 106.59 20.4 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.19 -33.28 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 111.041 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -89.43 118.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.262 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -89.53 92.41 9.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.194 0.521 . . . . 0.0 110.047 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.07 98.08 45.08 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -41.88 -53.76 3.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.895 3.063 . . . . 0.0 114.153 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -52.5 -52.0 56.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.845 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.01 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.87 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.46 -52.6 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.019 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 HG12 ' A' ' 60' ' ' ILE . 73.2 t -65.45 -41.73 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.556 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -56.28 -40.79 74.82 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.096 0.475 . . . . 0.0 110.616 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -79.1 -33.75 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.43 -24.18 67.27 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -61.6 -28.85 69.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.06 0.457 . . . . 0.0 110.223 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.4 mt -101.07 -40.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.981 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' THR . 35.8 m-85 -88.51 11.18 17.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.793 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.557 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 3.0 pp -29.16 -20.22 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PHE . 5.7 t -119.97 96.8 5.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.822 1.192 . . . . 0.0 110.889 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.39 -175.91 45.88 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.58 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 5.4 p -124.23 135.26 64.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.275 0.559 . . . . 0.0 110.879 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.6 tt -119.96 139.81 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.008 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 31' ' ' ARG . 2.5 t-105 -109.56 112.43 24.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.63 149.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.43 -53.61 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.57 -47.6 10.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.887 0.375 . . . . 0.0 111.914 -173.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.05 -31.26 56.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.701 -170.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.06 -153.85 18.64 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -175.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 25' ' ' TRP . 7.5 ptp180 -85.05 138.54 32.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.137 0.469 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.36 130.46 34.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 53.2 mt-10 -101.87 127.07 48.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE2' ' O ' ' A' ' 19' ' ' PHE . 13.9 p90 -113.45 138.24 50.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.896 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 35.3 tt0 -140.43 131.96 27.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.514 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 57.4 mttp 62.81 24.39 14.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.244 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 80.19 17.9 73.09 Favored Glycine 0 C--O 1.226 -0.371 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.097 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 38.8 mtp180 -117.68 140.19 49.99 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.17 3.76 54.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.227 -173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt 56.87 -153.08 0.37 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HA ' HG21 ' A' ' 53' ' ' ILE . 2.1 pp -157.15 148.86 17.19 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 2.7 Cg_exo -73.88 37.73 0.44 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.593 2.862 . . . . 0.0 112.905 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 43' ' ' ARG . 43.2 mtp-105 63.44 -80.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.4 0.68 . . . . 0.0 110.338 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -156.65 128.62 7.31 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 p -154.14 -164.7 1.91 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.407 -169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.12 144.59 95.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.558 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -56.95 -29.98 84.48 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.942 2.428 . . . . 0.0 111.65 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.51 -47.61 66.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.039 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . 98.5 t -86.79 -44.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 54' ' ' LEU . 35.0 ttpt -59.47 -41.68 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.275 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.82 -40.24 92.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.822 0.344 . . . . 0.0 110.136 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -67.07 -42.77 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.7 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 HG21 ' HA ' ' A' ' 41' ' ' LEU . 46.4 mm -62.9 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.0 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 50' ' ' LYS . 8.9 mp -63.54 -39.89 95.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -47.37 85.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.329 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.628 ' O ' HG13 ' A' ' 60' ' ' ILE . 83.9 mt -62.97 -45.32 92.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -64.48 -40.04 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.03 -42.0 97.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.293 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -64.88 -34.05 77.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.891 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 56' ' ' LEU . 88.6 mt -60.53 -56.14 19.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.46 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 65' ' ' HIS . 8.8 pt-20 -68.22 -13.22 62.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.254 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.22 -44.77 17.3 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.02 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.41 -27.38 41.79 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -83.81 -2.83 57.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 0.0 110.479 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 80.8 t60 -88.2 66.9 8.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.606 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -69.55 111.71 5.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.405 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 m -57.15 -33.35 67.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.439 -171.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -84.41 8.5 16.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.194 0.521 . . . . 0.0 111.127 -175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -142.67 104.86 4.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.317 0.58 . . . . 0.0 110.724 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.87 1.38 52.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.931 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.6 tp 62.18 41.17 10.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.071 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.54 -39.05 92.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.446 0.641 . . . . 0.0 109.531 174.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -102.28 119.43 38.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 m170 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.531 -175.315 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 22.3 tpt180 -152.62 132.24 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 25' ' ' TRP . 46.8 t -118.87 123.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.459 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 24' ' ' ILE . 43.8 m-85 -109.02 110.19 60.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.142 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.57 -21.04 26.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.815 2.343 . . . . 0.0 111.08 174.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.87 129.63 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.238 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.71 101.59 7.61 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -118.68 105.97 44.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.987 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 -62.63 0.42 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.843 3.029 . . . . 0.0 114.093 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.21 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.247 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.97 -39.27 90.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.366 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' ALA . 82.7 mt -65.7 -49.61 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.514 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG13 HG12 ' A' ' 60' ' ' ILE . 76.9 t -58.9 -45.75 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.219 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -64.21 -40.13 95.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.427 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -83.81 -20.99 32.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.64 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.201 0.524 . . . . 0.0 110.116 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -62.84 -21.75 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.387 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.53 -47.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.682 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 99.2 m-85 -88.48 9.5 23.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.207 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 35' ' ' GLU . 2.3 pp -37.97 -7.44 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PHE . 3.6 t -130.09 118.22 21.18 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 119.75 1.159 . . . . 0.0 111.027 177.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.27 -140.98 12.24 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.362 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.72 141.38 46.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.438 0.637 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 32' ' ' LEU . 10.5 tt -121.17 122.33 67.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.308 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.541 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.8 m95 -99.85 113.51 26.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.874 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.39 139.15 21.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -90.49 -18.54 25.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.486 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.02 -48.61 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.43 -144.18 15.46 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -91.61 125.12 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.768 0.284 . . . . 0.0 110.71 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 24' ' ' ILE . 88.3 mt -115.46 123.31 48.26 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 40' ' ' LEU . 8.5 pt-20 -96.94 138.66 34.14 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -150.65 152.1 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.471 . . . . 0.0 111.497 -174.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.843 ' HG2' ' HD2' ' A' ' 36' ' ' LYS . 34.1 tt0 -143.77 133.29 23.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.265 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.843 ' HD2' ' HG2' ' A' ' 35' ' ' GLU . 5.8 mptt 63.84 20.3 12.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.958 0.503 . . . . 0.0 111.246 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.78 -0.88 84.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.234 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -98.24 109.53 22.27 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.983 0.897 . . . . 0.0 110.405 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 40.7 m-85 -58.15 127.47 32.25 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.369 -1.741 . . . . 0.0 111.208 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 9.1 mp -83.87 101.48 11.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.407 0.622 . . . . 0.0 110.089 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 50' ' ' LYS . 64.0 tp -97.61 121.77 57.2 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.719 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD2' HD12 ' A' ' 41' ' ' LEU . 34.8 Cg_exo -61.59 -171.06 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.261 2.641 . . . . 0.0 112.284 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -58.63 -51.15 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -155.82 -60.78 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m 65.0 -83.87 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.865 -175.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mm? -131.86 132.21 23.1 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 38.7 Cg_exo -58.18 -42.96 51.56 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.869 2.379 . . . . 0.0 112.26 -177.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -61.41 -36.5 80.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.243 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.99 -46.83 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.885 0.374 . . . . 0.0 110.224 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.746 ' HG3' HD21 ' A' ' 41' ' ' LEU . 65.4 tttm -64.19 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.557 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.0 -44.19 97.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.32 83.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 41' ' ' LEU . 63.6 mt -62.94 -39.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.77 -35.21 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 109.834 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 60' ' ' ILE . 89.9 mt -64.54 -44.11 91.85 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.101 173.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -59.44 -38.4 80.6 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.865 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.91 -48.85 77.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.003 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.37 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.583 HG12 HG13 ' A' ' 13' ' ' VAL . 90.8 mt -57.78 -55.39 21.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.25 -41.02 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.541 0.525 . . . . 0.0 111.013 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.54 -55.62 12.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.525 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -71.82 -19.43 61.98 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.702 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.41 -28.73 37.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -83.07 -66.11 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.525 ' NE2' ' HE3' ' A' ' 68' ' ' LYS . 37.2 tt0 -177.83 147.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 t -86.74 -9.36 56.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.41 . . . . 0.0 110.669 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' HE3' ' NE2' ' A' ' 66' ' ' GLN . 51.2 mtmt -94.48 168.5 10.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -72.19 -26.55 62.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.084 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB2' ' OE1' ' A' ' 66' ' ' GLN . . . 69.35 -73.52 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.972 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -109.05 -168.78 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -175.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -121.08 64.46 0.87 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.849 0.833 . . . . 0.0 108.882 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -60.39 97.01 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.682 172.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.452 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 2.2 p80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.575 -177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.7 mpt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.21 113.33 25.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.878 0.37 . . . . 0.0 110.432 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' TRP . 47.8 t -87.51 127.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.88 102.34 51.31 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.272 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -68.64 -10.06 27.94 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.257 2.638 . . . . 0.0 112.165 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.9 130.41 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.614 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -77.62 93.22 4.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.946 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -111.21 91.57 13.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.689 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 1.2 Cg_endo -44.62 -65.28 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 124.22 3.28 . . . . 0.0 114.106 -171.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' HD21 ' A' ' 59' ' ' LEU . 95.1 mttt -67.3 -25.05 65.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.716 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.32 -41.9 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.328 . . . . 0.0 110.217 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 8' ' ' ALA . 87.0 mt -57.28 -48.63 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.524 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.22 -37.46 80.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -62.73 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.731 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.16 -26.11 67.47 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -58.87 -27.58 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 111.465 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.8 mt -100.97 -39.62 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.503 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -86.36 8.88 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.386 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -28.83 -38.16 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -172.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.566 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 6.2 t -117.52 95.68 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.826 0.822 . . . . 0.0 110.104 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.25 -164.44 28.56 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.639 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 1' ' ' MET . 38.7 t -124.2 127.2 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.424 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG21 ' HE2' ' A' ' 39' ' ' PHE . 12.6 tt -117.73 149.13 20.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -130.22 97.17 4.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 109.926 -179.167 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 5.6 t -91.75 149.36 4.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 23.5 ttpp -62.41 -46.41 88.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.114 0.483 . . . . 0.0 111.439 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.62 -3.25 58.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.077 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 49' ' ' VAL . 77.0 mt -118.4 -56.51 2.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 0.0 111.055 -175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 25' ' ' TRP . . . 112.28 -150.39 18.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.617 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 31' ' ' ARG . 7.8 ttp180 -75.9 119.73 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.74 0.305 . . . . 0.0 110.993 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 96.5 mt -125.63 111.98 15.61 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 23' ' ' VAL . 43.6 mt-10 -94.76 105.31 17.24 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -109.03 155.48 20.87 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.152 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.585 ' HG3' ' HG2' ' A' ' 36' ' ' LYS . 10.0 tp10 -143.1 142.73 31.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.842 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 68.7 mmtt 63.3 16.71 9.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.444 0.697 . . . . 0.0 110.84 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.87 4.35 87.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.969 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 38' ' ' ARG . 28.4 mtp85 -114.12 133.45 55.56 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.218 1.008 . . . . 0.0 110.298 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.655 ' HE2' HG21 ' A' ' 24' ' ' ILE . 59.3 m-85 -85.05 126.67 33.76 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.302 -171.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.54 143.13 35.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.157 177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.567 HD12 ' HD2' ' A' ' 42' ' ' PRO . 60.5 tp -98.78 123.54 49.21 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD2' HD12 ' A' ' 41' ' ' LEU . 50.9 Cg_exo -55.93 163.24 6.03 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.892 2.395 . . . . 0.0 111.666 172.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -61.13 98.4 0.08 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.291 -177.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 72.13 -51.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.716 0.807 . . . . 0.0 110.426 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 t 67.49 -165.77 0.21 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.347 171.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.81 151.29 39.33 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -43.75 -55.47 3.0 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.838 3.025 . . . . 0.0 114.068 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -65.19 -30.44 71.35 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.612 0.244 . . . . 0.0 111.354 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' HA ' HD22 ' A' ' 29' ' ' LEU . 25.5 t -76.69 -46.39 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.63 -43.44 98.84 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.923 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.06 -45.95 86.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.838 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -63.71 -42.69 97.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.789 -175.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.05 -46.17 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.33 -29.97 66.82 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.765 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.67 -45.94 87.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 96.3 mt -61.68 -42.08 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -54.82 -50.28 68.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.124 0.487 . . . . 0.0 110.292 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.65 -43.24 99.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.495 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 10' ' ' LYS . 31.9 tp -61.06 -36.33 79.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.371 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 56' ' ' LEU . 85.9 mt -59.73 -47.33 91.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' HIS . 26.5 mm-40 -71.71 -8.37 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.562 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.38 19.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -85.95 -28.94 23.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.255 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -97.54 5.39 49.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.643 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 3.5 t-80 -85.45 -12.02 52.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.484 -173.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 72.77 -62.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.759 0.662 . . . . 0.0 110.954 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -131.89 147.1 52.45 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -129.95 -42.7 1.24 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.726 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.2 t -150.71 99.6 2.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 110.69 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.77 -49.4 6.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.917 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.39 57.82 0.73 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.15 7.59 5.56 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.824 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 70.17 -55.68 0.6 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.599 0.759 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 14.4 m170 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.495 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.648 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 63.3 ttp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -109.39 152.58 25.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.3 t -106.07 137.21 37.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' HE2' HD22 ' A' ' 11' ' ' LEU . 40.4 m-85 -123.8 95.08 45.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -78.12 -18.36 12.86 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.191 2.594 . . . . 0.0 112.334 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.5 -31.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.367 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 t80 62.67 91.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.477 0.656 . . . . 0.0 110.596 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -119.13 104.55 46.04 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.886 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -45.57 -60.94 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.7 2.933 . . . . 0.0 114.115 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -63.55 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.139 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD22 ' HE2' ' A' ' 4' ' ' PHE . 2.3 tt -60.94 -45.6 94.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.86 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 8' ' ' ALA . 71.6 mt -65.14 -50.76 72.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.86 -46.59 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.499 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -63.99 -38.36 90.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.219 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.4 -28.28 52.66 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.023 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.37 66.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.03 -35.97 74.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.097 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 mt -90.61 -38.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.945 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -82.27 12.32 4.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.583 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' LYS . 12.7 tp -23.94 -43.5 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.984 1.714 . . . . 0.0 114.95 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 5.1 t -125.01 79.94 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.0 0.905 . . . . 0.0 110.419 170.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.79 -173.37 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.439 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 1' ' ' MET . 26.9 t -125.64 136.78 59.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.454 0.645 . . . . 0.0 111.413 -176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mt -127.4 124.58 64.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.813 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 31' ' ' ARG . 2.2 t-105 -95.31 110.95 22.89 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 t -102.95 151.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -75.91 -6.29 50.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.0 -45.06 5.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.566 -174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 32' ' ' LEU . 60.3 mt -112.37 -11.33 13.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.778 0.323 . . . . 0.0 111.573 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.88 -149.92 19.99 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.347 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HB3' ' CE3' ' A' ' 25' ' ' TRP . 13.6 ptt180 -81.73 120.78 25.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.409 0.623 . . . . 0.0 110.216 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 29' ' ' LEU . 95.9 mt -111.86 116.82 31.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.07 135.86 38.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 3.6 p90 -132.16 150.34 52.18 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.43 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 29.9 tt0 -135.64 125.35 25.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.889 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.607 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 mmmm 55.86 42.48 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.807 177.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.43 -8.3 61.98 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.025 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 mtm105 -96.85 124.11 40.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.436 0.636 . . . . 0.0 110.342 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 12.6 m-85 -74.43 2.42 9.53 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.84 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt 59.29 -158.43 0.31 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.891 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 3.9 pp -149.74 125.24 4.94 Favored Pre-proline 0 N--CA 1.446 -0.662 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 6.8 Cg_exo -72.77 109.3 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.934 2.423 . . . . 0.0 110.918 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 43' ' ' ARG . 45.3 ttm105 -64.53 -26.9 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.908 -172.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -20.22 22.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.764 0.316 . . . . 0.0 111.793 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 42' ' ' PRO . 47.5 m -156.84 106.41 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.267 -0.271 . . . . 0.0 110.961 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.657 ' H ' ' CD ' ' A' ' 47' ' ' PRO . 3.5 pp -131.85 -22.12 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.803 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.657 ' CD ' ' H ' ' A' ' 46' ' ' LEU . 91.2 Cg_exo -47.51 -40.54 29.71 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.719 1.65 . . . . 0.0 113.217 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -82.58 -38.25 23.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.342 0.591 . . . . 0.0 110.622 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.621 ' HA ' HD22 ' A' ' 29' ' ' LEU . 20.8 t -79.01 -41.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.738 -168.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.533 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 64.2 tttm -63.36 -24.73 67.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.119 -177.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.99 -51.04 61.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.037 0.446 . . . . 0.0 109.855 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' ' 29' ' ' LEU . . . -72.05 -36.46 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.624 177.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.533 ' HB ' ' HA ' ' A' ' 50' ' ' LYS . 29.9 mt -56.67 -42.33 76.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.33 -42.91 99.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.086 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.65 -49.1 78.87 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.855 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' O ' HG13 ' A' ' 60' ' ' ILE . 86.5 mt -66.38 -47.45 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.835 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' ND2' HG23 ' A' ' 53' ' ' ILE . 25.2 m-80 -66.73 -35.3 79.78 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -176.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.98 -43.14 99.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.513 0.673 . . . . 0.0 109.205 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HG ' ' NE2' ' A' ' 63' ' ' GLN . 54.0 tp -63.46 -38.21 90.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.619 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.4 mt -60.58 -58.22 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' ASN . 14.7 pt-20 -64.95 -25.4 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.36 -47.22 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 110.781 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' A' ' 59' ' ' LEU . 45.6 mt-30 -74.54 -38.33 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.302 0.572 . . . . 0.0 110.498 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 11.3 t30 -64.21 -20.76 66.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.154 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.57 -57.03 13.69 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 72.56 -41.05 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.821 0.848 . . . . 0.0 113.28 170.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -60.37 99.63 0.08 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.106 0.479 . . . . 0.0 112.128 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' HD3' ' A' ' 68' ' ' LYS . 8.0 tmtt? -154.09 -52.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 172.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -62.59 -29.19 70.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.817 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.54 121.15 14.26 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.4 tp -96.31 131.9 42.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 -174.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 55.37 68.46 0.86 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.953 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.61 -36.03 77.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 172.549 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.67 0.271 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.571 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 2.3 mmp_? -141.66 143.05 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.517 176.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 25' ' ' TRP . 57.9 t -128.33 132.6 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.708 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' CD1' HD11 ' A' ' 24' ' ' ILE . 52.1 m-85 -124.96 106.89 28.59 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.925 0.393 . . . . 0.0 110.272 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 27' ' ' LYS . 4.1 Cg_exo -75.49 8.38 2.63 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 123.193 2.596 . . . . 0.0 112.348 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.25 139.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.169 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 36.6 t80 -81.4 93.86 6.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.209 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.64 96.25 16.89 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.42 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -45.6 -56.2 2.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.661 2.908 . . . . 0.0 113.969 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -57.95 -40.58 80.9 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.57 -38.7 87.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.458 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 24' ' ' ILE . 91.4 mt -62.14 -52.25 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 177.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 HG12 ' A' ' 60' ' ' ILE . 83.5 t -61.15 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.513 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -63.37 -28.15 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.09 -27.88 22.86 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.567 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.67 63.86 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -50.74 -35.28 30.72 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.524 0.678 . . . . 0.0 110.94 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -101.08 -37.44 5.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.121 -176.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' THR . 58.3 m-85 -96.3 10.17 38.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.486 -171.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 1.7 pp -52.29 5.16 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.215 1.931 . . . . 0.0 116.215 -171.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' PHE . 9.6 t -136.07 41.14 2.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.765 0.711 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.42 -143.75 4.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.183 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.96 139.78 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 110.694 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 4' ' ' PHE . 11.5 tt -128.24 130.28 69.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.442 ' HB2' HG22 ' A' ' 3' ' ' VAL . 11.4 m0 -104.96 99.34 8.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.648 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.4 t -92.62 141.84 14.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 34.3 ttpt -67.55 -45.94 74.2 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.906 0.384 . . . . 0.0 111.401 -174.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . 7.3 m-20 -80.94 -15.03 57.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.535 -175.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 94.9 mt -107.83 -63.96 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.791 0.329 . . . . 0.0 111.033 -177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.28 -157.34 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.873 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -78.98 112.03 15.77 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.2 mt -115.92 127.03 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.763 0.316 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -104.24 135.15 46.25 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.862 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -137.12 141.17 42.28 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 -177.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 36' ' ' LYS . 32.9 tt0 -128.66 121.79 29.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.486 -173.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 32.1 mmmt 60.28 28.32 17.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.813 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 89.82 -9.35 77.52 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.68 -177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -88.94 114.32 25.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.679 0.752 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.85 120.2 25.35 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.371 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp -69.99 122.06 18.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.966 0.412 . . . . 0.0 110.938 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD22 ' HD2' ' A' ' 42' ' ' PRO . 3.4 tm? -101.15 114.73 65.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.653 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.737 ' HD2' HD22 ' A' ' 41' ' ' LEU . 29.3 Cg_endo -63.86 116.5 3.72 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.666 2.244 . . . . 0.0 112.016 177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.19 123.68 18.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 62.23 85.22 0.13 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.962 0.789 . . . . 0.0 110.857 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.9 t -145.79 -171.55 3.72 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.538 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.84 127.55 89.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 50' ' ' LYS . 26.5 Cg_endo -63.21 -29.17 73.42 Favored 'Trans proline' 0 CA--C 1.521 -0.14 0 C-N-CA 122.929 2.419 . . . . 0.0 112.118 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.41 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -85.25 -40.28 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.142 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.6 ' HA ' HD21 ' A' ' 41' ' ' LEU . 63.4 tttp -55.28 -56.02 24.77 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.071 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 2.1 mp0 -67.11 -30.27 70.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.124 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -61.07 -47.99 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.708 ' HB ' HD23 ' A' ' 41' ' ' LEU . 67.4 mt -66.14 -35.95 76.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.398 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 50' ' ' LYS . 6.9 mp -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 174.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 73.4 mm-40 -58.78 -39.55 81.38 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.756 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 60' ' ' ILE . 72.2 mt -63.55 -46.82 84.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.486 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -66.37 -37.76 86.02 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.571 0.7 . . . . 0.0 109.411 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -42.65 90.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.65 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.39 -34.58 78.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.201 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG12 HG13 ' A' ' 13' ' ' VAL . 83.8 mt -59.92 -45.93 94.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -73.39 -28.72 62.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.483 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -78.14 -11.22 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.074 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 60' ' ' ILE . 3.8 t-20 -74.22 -24.89 59.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.448 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -125.07 77.5 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.732 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -124.92 -173.9 2.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.078 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.8 p -64.6 147.27 53.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.528 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -83.58 111.27 18.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.059 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 m 59.41 88.15 0.07 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.337 0.589 . . . . 0.0 111.53 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.71 -29.25 56.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.698 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.8 53.07 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.9 -26.77 64.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.061 0.458 . . . . 0.0 110.037 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -95.01 131.08 41.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.478 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.0 m170 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.511 -176.23 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -98.48 131.22 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.983 0.421 . . . . 0.0 111.657 -175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.574 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 35.4 m -86.15 144.17 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.027 173.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -119.9 95.21 49.09 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-O 120.832 0.348 . . . . 0.0 110.611 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.27 0.09 9.79 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.113 2.542 . . . . 0.0 111.696 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.05 122.46 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.064 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -87.19 97.7 10.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -123.77 103.14 34.48 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.187 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 5.6 Cg_exo -42.54 -68.16 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.1 3.2 . . . . 0.0 113.831 -176.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.698 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.49 -26.05 66.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.23 -175.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.698 HD22 ' HG2' ' A' ' 10' ' ' LYS . 4.0 mm? -75.18 -53.47 8.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.588 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.62 -50.4 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.729 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 60' ' ' ILE . 39.5 t -62.02 -48.93 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.041 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -70.19 -27.14 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.831 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -78.07 -32.9 50.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.75 0.309 . . . . 0.0 110.553 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -20.22 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.037 0.446 . . . . 0.0 110.536 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.58 -29.79 69.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.148 0.499 . . . . 0.0 110.15 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.4 mt -100.64 -43.6 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.486 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -81.82 9.51 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.627 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 4.2 pp -32.77 -25.82 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.4 t -121.07 99.74 6.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.494 0.588 . . . . 0.0 110.373 176.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.73 -159.38 29.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.158 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.2 t -132.39 131.14 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.38 . . . . 0.0 110.236 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.0 tt -120.15 131.27 72.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.955 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 3' ' ' VAL . 13.0 m95 -102.11 89.29 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.197 0.523 . . . . 0.0 110.267 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 3.8 t -76.56 149.0 6.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.365 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 5' ' ' PRO . 6.0 tppp? -68.48 -57.4 5.88 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.137 0.494 . . . . 0.0 111.194 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.42 -23.31 53.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.489 -173.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . 89.5 mt -101.9 -82.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.74 -150.95 22.82 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.046 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 31' ' ' ARG . 43.7 ttp180 -77.23 107.89 9.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 24' ' ' ILE . 96.7 mt -115.69 133.84 55.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.354 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -108.94 136.12 49.0 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -140.94 140.41 34.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -176.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.3 tt0 -133.63 130.07 37.78 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.296 -175.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 94.0 mttt 63.44 24.15 14.0 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.911 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.07 -9.38 76.59 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.5 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -98.51 105.73 17.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.936 0.874 . . . . 0.0 110.289 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 4.8 m-85 -57.74 124.8 20.4 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.103 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.96 94.92 6.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD23 ' H ' ' A' ' 41' ' ' LEU . 2.6 pt? -75.51 168.89 23.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.195 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 41' ' ' LEU . 53.2 Cg_exo -57.0 178.23 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.824 2.349 . . . . 0.0 112.574 174.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -56.15 -49.54 73.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.116 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 14.7 ptmt -119.71 -24.12 6.3 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.3 173.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.1 t 73.27 165.17 0.29 Allowed 'General case' 0 CA--C 1.529 0.169 0 O-C-N 123.821 0.7 . . . . 0.0 111.289 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.93 153.09 49.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.517 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -43.04 -59.22 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.322 2.682 . . . . 0.0 113.611 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -63.75 -42.7 97.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.968 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' O ' HG12 ' A' ' 53' ' ' ILE . 42.4 t -64.92 -42.34 94.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.825 -176.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.376 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.09 -39.84 83.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -69.8 -43.27 72.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG13 ' HB3' ' A' ' 41' ' ' LEU . 44.9 mm -60.66 -48.5 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.637 0.256 . . . . 0.0 110.854 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -39.33 93.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -58.63 -51.57 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.275 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 60' ' ' ILE . 74.5 mt -62.55 -44.87 95.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.016 -178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -40.18 94.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.52 -49.97 71.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.222 0.534 . . . . 0.0 109.736 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 13' ' ' VAL . 29.6 tp -57.58 -34.35 69.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.274 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.1 mt -57.28 -54.83 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-O 121.035 0.445 . . . . 0.0 109.828 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.63 -31.17 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.149 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -47.43 85.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.287 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.642 ' HA ' HG22 ' A' ' 67' ' ' THR . 77.8 mt-30 -69.69 -29.12 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.832 0.349 . . . . 0.0 110.823 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.67 -0.84 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.65 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -132.59 -66.08 0.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.833 0.349 . . . . 0.0 111.227 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -55.75 -60.65 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.689 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 63' ' ' GLN . 10.3 t -102.36 26.95 7.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 110.996 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -64.41 -34.37 78.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.183 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.2 p -93.65 137.91 32.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 85.19 3.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 71' ' ' LEU . 2.7 pt? -68.53 132.96 47.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.873 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 66.77 21.57 10.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.664 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -82.8 -24.99 33.14 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 124.345 1.058 . . . . 0.0 113.466 173.422 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -143.84 141.79 30.51 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.917 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -107.98 141.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.938 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -118.39 105.03 47.01 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.12 1.4 8.97 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.197 2.598 . . . . 0.0 111.379 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -133.58 133.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.303 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -94.49 96.8 9.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.93 0.395 . . . . 0.0 109.99 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.19 100.54 15.46 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.038 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.16 -59.03 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.689 2.926 . . . . 0.0 113.775 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -62.58 -30.41 71.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.62 -176.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.1 tp -72.89 -48.47 37.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.999 0.428 . . . . 0.0 109.992 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.32 -49.17 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.95 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG21 HD23 ' A' ' 59' ' ' LEU . 74.9 t -58.55 -48.09 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 123.302 0.376 . . . . 0.0 111.433 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -65.13 -38.33 90.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -76.27 -33.08 59.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.76 -12.61 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.337 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.44 178.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -93.02 -27.95 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.561 0.696 . . . . 0.0 110.449 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.06 10.02 41.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.348 -174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' THR . 3.5 pp -29.5 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -172.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' HD12 ' A' ' 20' ' ' LEU . 5.4 t -120.01 98.07 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 119.1 0.864 . . . . 0.0 109.993 170.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.92 33.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.804 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.78 122.94 69.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.619 0.247 . . . . 0.0 110.919 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 tt -118.66 145.39 24.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.17 106.94 12.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.798 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 t -95.26 155.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.52 -54.72 31.86 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.898 0.38 . . . . 0.0 111.578 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.73 -45.53 15.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.688 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.24 -27.97 42.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.703 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.5 -155.19 24.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.241 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 31' ' ' ARG . 10.2 ttp180 -75.79 121.1 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.381 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -122.5 140.36 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.008 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -105.45 137.27 43.55 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 1.3 p90 -133.53 142.58 48.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.994 0.426 . . . . 0.0 110.354 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -127.7 121.34 30.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.671 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 64.45 27.35 13.54 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.485 0.49 . . . . 0.0 110.728 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.12 -17.02 58.25 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.538 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -80.26 104.3 10.72 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 121.652 0.739 . . . . 0.0 110.33 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 30.0 m-85 -59.35 118.31 5.82 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.612 172.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.45 121.22 38.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.976 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.663 ' HB3' HG13 ' A' ' 53' ' ' ILE . 3.6 pp -76.09 138.69 68.68 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.819 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.773 ' HD2' HG11 ' A' ' 49' ' ' VAL . 59.5 Cg_endo -73.61 168.5 24.61 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.703 2.268 . . . . 0.0 111.724 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -93.82 24.32 4.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.473 0.654 . . . . 0.0 110.201 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.05 130.6 23.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.233 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' HD2' ' A' ' 47' ' ' PRO . 54.6 m 68.51 12.33 8.67 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.441 0.639 . . . . 0.0 110.788 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.664 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 2.2 pt? -58.57 -28.34 4.54 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -176.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' C ' ' A' ' 45' ' ' SER . 71.4 Cg_exo -43.83 -40.77 11.58 Favored 'Trans proline' 0 C--N 1.362 1.281 0 CA-C-N 121.489 1.568 . . . . 0.0 113.046 173.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -99.01 -33.13 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.765 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.773 HG11 ' HD2' ' A' ' 42' ' ' PRO . 95.1 t -68.89 -43.86 82.1 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.27 -175.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HA ' HD22 ' A' ' 41' ' ' LEU . 59.8 tttm -56.68 -46.53 81.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.798 0.332 . . . . 0.0 110.58 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -60.05 -45.42 92.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.369 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.16 80.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.969 0.414 . . . . 0.0 111.241 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.663 HG13 ' HB3' ' A' ' 41' ' ' LEU . 28.9 mm -65.87 -40.01 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.438 177.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.27 -35.0 78.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.415 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -57.28 -50.12 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.9 0.381 . . . . 0.0 110.513 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' O ' HG13 ' A' ' 60' ' ' ILE . 97.3 mt -61.36 -46.82 88.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.999 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -65.16 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.76 -41.01 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 109.542 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 13' ' ' VAL . 59.1 tp -58.28 -41.72 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.306 176.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -59.19 -46.41 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.218 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -59.52 -42.49 92.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.067 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.46 83.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.496 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -73.13 -18.91 61.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 0.0 110.283 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -87.89 -53.25 4.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.53 -177.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.29 -7.48 57.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.339 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 68.1 179.4 0.23 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.801 0.688 . . . . 0.0 110.466 -173.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 p -92.32 3.31 55.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.897 0.379 . . . . 0.0 111.777 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -101.32 124.32 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.419 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.5 p 49.43 40.78 19.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.813 0.696 . . . . 0.0 112.066 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.57 -43.84 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -119.22 92.44 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.097 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -127.75 35.12 4.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.999 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 72.18 -67.22 0.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.942 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 57.1 m80 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.0 110.324 -179.027 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -138.06 116.65 12.13 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.16 136.17 48.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 110.944 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -127.15 103.17 23.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.307 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.44 -5.44 17.12 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 123.088 2.526 . . . . 0.0 112.142 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.28 146.36 34.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.327 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -88.21 100.99 13.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.887 0.375 . . . . 0.0 110.072 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.77 94.94 30.43 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.44 -62.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.736 2.957 . . . . 0.0 113.939 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HA ' HD21 ' A' ' 59' ' ' LEU . 67.3 mttm -59.41 -38.53 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.07 -50.53 65.81 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.17 -49.24 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 HD23 ' A' ' 59' ' ' LEU . 38.7 t -64.13 -42.51 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.073 -177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -75.76 -31.44 59.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.29 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.23 -29.88 70.72 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.15 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -10.51 59.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.7 -51.2 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.385 0.612 . . . . 0.0 110.446 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' THR . 75.4 m-85 -93.26 11.82 26.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.597 -173.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' ' 36' ' ' LYS . 1.3 pp -28.69 -28.15 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -172.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . 6.8 t -116.16 106.86 14.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 119.408 1.003 . . . . 0.0 110.802 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.22 -157.9 23.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.586 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.9 t -122.69 125.24 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 122.521 0.329 . . . . 0.0 110.277 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' HB ' ' CE1' ' A' ' 34' ' ' PHE . 12.4 tt -119.16 144.81 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -128.07 106.37 9.02 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 t -102.51 154.71 5.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.977 0.418 . . . . 0.0 111.07 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.37 -39.66 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.775 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.99 -14.65 19.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.947 -174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 -150.86 32.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.068 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -83.81 134.79 34.7 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.8 mt -135.73 124.42 23.8 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.56 101.54 12.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' HB ' ' A' ' 24' ' ' ILE . 4.1 p90 -101.12 124.46 46.87 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.4 tt0 -129.34 117.35 20.49 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.573 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HA ' HD13 ' A' ' 20' ' ' LEU . 44.7 mtmt 62.91 31.63 16.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.283 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.546 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 93.36 -4.53 73.71 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.902 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -103.24 121.96 43.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.711 0.767 . . . . 0.0 110.149 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -87.18 13.32 9.72 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.093 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.1 mt 63.59 -173.04 0.16 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.092 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.82 50.3 0.32 Allowed Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.23 -179.88 5.86 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.346 2.03 . . . . 0.0 112.938 -173.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HG2' ' H ' ' A' ' 44' ' ' LYS . 51.2 ttt180 -125.38 -145.01 0.32 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.507 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 93.9 mttt 62.76 25.75 15.26 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.206 0.527 . . . . 0.0 110.514 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -149.18 -167.46 2.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.635 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -77.5 137.25 63.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.584 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.48 -36.82 81.23 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.013 2.475 . . . . 0.0 112.352 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -57.3 -35.99 70.51 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 53' ' ' ILE . 62.2 t -62.91 -47.91 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.199 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.93 -37.37 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.366 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.3 -38.35 86.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.961 0.41 . . . . 0.0 110.435 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -65.86 -38.43 88.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.507 177.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' VAL . 82.6 mt -58.3 -45.08 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.303 175.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.84 -48.06 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.646 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.86 -43.49 98.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.584 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 52' ' ' ALA . 60.0 mt -65.29 -47.17 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.502 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.556 HD22 HD12 ' A' ' 60' ' ' ILE . 8.6 m120 -66.73 -32.18 73.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD23 HG21 ' A' ' 13' ' ' VAL . 52.0 tp -57.55 -43.5 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.551 176.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.556 HD12 HD22 ' A' ' 57' ' ' ASN . 86.7 mt -61.26 -50.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.807 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.62 -31.1 69.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.957 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.99 86.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.361 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.71 -37.91 73.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.649 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.94 -41.13 91.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.248 0.547 . . . . 0.0 110.373 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -90.74 44.91 1.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.617 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.47 -17.45 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -76.02 144.23 40.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.874 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -96.99 -34.28 11.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 110.096 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 p -72.8 104.46 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 73' ' ' HIS . . . -129.6 -23.92 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.953 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp 69.31 -71.35 0.12 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.802 0.689 . . . . 0.0 111.053 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -75.18 -10.3 59.34 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 7.5 p-80 59.77 -43.12 0.09 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.282 1.833 . . . . 0.0 115.178 174.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 123.395 0.678 . . . . 0.0 111.5 -177.415 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 27.6 ttt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 24.5 mmt180 -140.45 133.31 29.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 25' ' ' TRP . 72.1 t -103.24 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.851 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -95.93 116.24 66.09 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.007 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.85 2.09 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.8 2.334 . . . . 0.0 111.754 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.02 152.78 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.103 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -102.66 93.23 4.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.939 0.4 . . . . 0.0 110.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 12' ' ' ILE . . . -126.07 92.27 46.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -48.27 -56.26 3.29 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.708 2.939 . . . . 0.0 113.898 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.05 -40.77 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.788 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.66 -45.16 95.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.299 . . . . 0.0 110.539 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 8' ' ' ALA . 77.2 mt -57.81 -45.08 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' A' ' 63' ' ' GLN . 75.1 t -62.23 -44.4 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.257 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -66.5 -34.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.148 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -68.49 -41.36 80.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.446 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -29.93 68.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.846 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.923 0.392 . . . . 0.0 111.015 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.0 -39.27 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.374 0.607 . . . . 0.0 111.089 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -100.01 11.47 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.884 -172.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 21' ' ' THR . 4.0 pp -29.2 -33.31 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.466 ' HB ' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -109.91 97.79 7.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.501 0.667 . . . . 0.0 109.979 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.25 -175.59 44.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.373 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 1' ' ' MET . 60.7 t -124.49 134.97 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 0.0 110.662 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.455 HG23 ' HB2' ' A' ' 32' ' ' LEU . 9.5 tt -119.02 138.02 51.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.2 t90 -121.6 107.09 11.98 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.75 148.22 6.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -70.36 -30.38 67.29 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.033 0.444 . . . . 0.0 110.846 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.48 -58.09 3.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 49' ' ' VAL . 73.8 mt -84.76 -49.84 8.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.983 -172.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.23 -149.43 16.84 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -86.19 131.6 34.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 110.273 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' HG23 ' A' ' 24' ' ' ILE . 90.2 mt -130.57 114.17 15.14 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.77 119.41 36.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 109.988 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 13.8 p90 -117.87 145.97 44.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -176.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' HG3' ' HG3' ' A' ' 36' ' ' LYS . 15.8 tp10 -137.57 134.23 35.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.104 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' A' ' 35' ' ' GLU . 60.4 mttm 64.31 17.53 10.79 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.351 0.407 . . . . 0.0 110.886 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -6.41 83.68 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.017 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -94.73 119.24 33.03 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 122.016 0.913 . . . . 0.0 110.06 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 16.8 m-85 -74.58 115.25 13.92 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.859 -1.518 . . . . 0.0 111.166 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.28 147.74 43.02 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 1.004 ' HB2' ' HB2' ' A' ' 45' ' ' SER . 37.1 Cg_exo -58.21 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.693 2.262 . . . . 0.0 111.007 172.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -61.18 -24.62 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.962 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -137.04 96.86 3.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.614 0.721 . . . . 0.0 109.857 169.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.004 ' HB2' ' HB2' ' A' ' 42' ' ' PRO . 13.8 t -136.64 -161.42 1.16 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.252 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 96.7 mt -92.64 139.66 23.67 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' LEU . 51.0 Cg_exo -54.94 -31.4 73.6 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.374 2.716 . . . . 0.0 113.054 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.88 -44.55 96.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.71 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' HA ' HD22 ' A' ' 29' ' ' LEU . 54.3 t -65.14 -45.97 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.347 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 58.3 mtpt -60.48 -40.85 92.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -58.39 -47.97 82.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.72 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.833 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 49' ' ' VAL . 80.3 mt -63.59 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.096 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 79.1 mt -64.7 -37.85 88.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.994 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.91 -42.9 99.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.12 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 60' ' ' ILE . 84.8 mt -64.97 -43.98 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.918 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -40.54 81.36 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.69 -50.79 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.445 0.641 . . . . 0.0 110.001 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 40.4 tp -60.08 -38.9 84.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.121 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 56' ' ' LEU . 82.0 mt -57.96 -48.37 84.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.512 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.125 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.61 98.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 13' ' ' VAL . 17.6 mm-40 -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.103 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -88.22 -6.04 58.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.996 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -105.5 -45.34 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.47 HE21 ' HB3' ' A' ' 66' ' ' GLN . 13.2 mt-30 59.34 88.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.585 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -82.4 -6.75 59.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.886 0.85 . . . . 0.0 108.953 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -76.07 132.46 40.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.778 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.4 p 56.15 -176.97 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.11 0.964 . . . . 0.0 112.4 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.85 0.29 15.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.058 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 mt 58.47 58.47 3.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -98.73 33.6 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.975 -173.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -138.0 -95.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.513 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 C--N 1.33 -0.263 0 C-N-CA 120.164 -0.615 . . . . 0.0 111.77 -178.33 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -137.04 144.21 43.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.932 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 25' ' ' TRP . 53.9 t -106.44 132.37 53.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.802 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.46 107.03 43.64 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.001 0.429 . . . . 0.0 111.057 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.73 -6.64 17.05 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.029 2.486 . . . . 0.0 111.099 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.68 134.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.894 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -92.83 98.43 11.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.697 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -116.57 94.88 44.59 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.093 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 8' ' ' ALA . 2.4 Cg_endo -46.72 -62.31 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.826 3.017 . . . . 0.0 113.488 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 59' ' ' LEU . 23.6 mmmt -53.92 -45.43 71.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.416 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -67.48 -47.61 69.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.69 -52.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.894 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 HG12 ' A' ' 60' ' ' ILE . 98.9 t -66.04 -36.86 78.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.343 -178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.05 -46.82 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.388 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.745 -176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.29 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 6.4 tmm_? -65.72 -23.41 66.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -98.38 -35.78 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.486 0.66 . . . . 0.0 110.43 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.3 m-85 -93.51 12.18 26.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.227 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB2' ' N ' ' A' ' 37' ' ' GLY . 2.6 pp -29.31 -22.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.468 ' N ' HD12 ' A' ' 20' ' ' LEU . 3.7 t -111.89 100.64 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 119.188 0.903 . . . . 0.0 110.325 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.4 -166.15 39.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 t -127.64 140.4 49.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.63 0.252 . . . . 0.0 110.343 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 tt -125.29 127.63 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.889 0.376 . . . . 0.0 110.146 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' HB2' HG22 ' A' ' 3' ' ' VAL . 14.5 m95 -99.67 88.03 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.101 0.477 . . . . 0.0 110.953 -176.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 t -79.24 147.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 174.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -41.04 69.69 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -171.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -73.79 -46.56 44.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD12 HD11 ' A' ' 32' ' ' LEU . 84.2 mt -90.44 -29.65 17.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.488 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.39 -154.24 18.98 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.796 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -72.15 120.57 17.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.747 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 29' ' ' LEU . 94.2 mt -115.41 114.15 24.7 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.63 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -93.5 139.22 30.98 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.116 0.484 . . . . 0.0 109.832 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.74 147.87 38.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 43.4 tt0 -144.51 144.88 31.56 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 176.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 22.8 mttp 66.15 16.57 10.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.575 -178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 79.65 5.14 89.46 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.813 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -115.46 111.92 21.5 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 122.311 1.053 . . . . 0.0 110.607 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.05 133.26 43.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.022 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -77.76 107.87 10.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.598 -177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -80.83 115.52 56.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.117 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.28 91.41 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.632 2.221 . . . . 0.0 112.802 -177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 64.51 -85.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.043 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 50' ' ' LYS . 19.2 ptpt -126.65 -10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.297 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.532 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . 11.2 t 62.53 -175.67 0.14 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.64 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.51 152.59 38.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.06 -59.86 0.73 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.568 2.845 . . . . 0.0 113.96 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -59.85 -49.54 77.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.387 0.613 . . . . 0.0 110.846 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.27 -46.7 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.907 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 45' ' ' SER . 87.0 tttt -64.89 -41.86 95.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -59.63 -47.85 83.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.704 0.288 . . . . 0.0 110.871 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -62.01 -50.51 71.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.49 -42.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.988 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.71 92.54 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.055 0.455 . . . . 0.0 110.603 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.32 -33.27 71.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.295 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 60' ' ' ILE . 82.6 mt -66.19 -43.24 87.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 174.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.582 HD22 HD12 ' A' ' 60' ' ' ILE . 14.3 m120 -58.17 -39.69 79.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.28 176.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.89 -43.22 85.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.888 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 10' ' ' LYS . 47.8 tp -67.12 -36.79 82.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.852 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.582 HD12 HD22 ' A' ' 57' ' ' ASN . 74.5 mt -63.42 -49.09 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 110.539 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 8.8 mm-40 -68.09 -23.7 64.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.78 76.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.112 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.37 -31.41 65.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -70.58 -24.36 62.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.218 0.532 . . . . 0.0 110.255 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -79.36 -13.01 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.833 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -79.83 97.2 6.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.108 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.5 m -80.76 99.98 8.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.795 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -76.06 -83.43 0.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -174.33 173.26 3.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.192 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.53 175.94 10.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.179 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.2 tp -71.73 99.0 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.128 0.489 . . . . 0.0 110.694 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -106.86 16.96 23.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.663 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.71 149.96 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.532 -177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.3 p80 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.939 179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 ttm . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.709 0.29 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -95.0 129.87 41.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.76 119.33 57.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -116.82 109.1 43.57 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.85 -21.8 18.25 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.618 2.212 . . . . 0.0 111.759 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 m -104.68 130.48 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.945 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.41 97.65 10.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.457 178.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.28 96.47 28.02 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.041 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.98 -53.74 6.53 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.711 2.941 . . . . 0.0 113.293 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HA ' HD21 ' A' ' 59' ' ' LEU . 4.1 tppp? -50.35 -53.42 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.659 0.6 . . . . 0.0 111.494 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.877 -174.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.11 -53.93 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.733 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 HG12 ' A' ' 60' ' ' ILE . 94.0 t -66.84 -37.66 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 -178.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.24 -36.38 79.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -90.5 -13.06 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.81 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.61 -16.38 64.14 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -64.04 -21.04 66.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.789 0.328 . . . . 0.0 111.636 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.98 -44.79 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.059 0.457 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.85 10.55 32.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 21' ' ' THR . 3.2 pp -32.96 -29.68 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 20' ' ' LEU . 1.8 t -114.37 106.27 14.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 118.078 0.399 . . . . 0.0 109.983 172.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.29 -150.1 15.55 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.748 -1.215 . . . . 0.0 113.136 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.68 135.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.377 0.608 . . . . 0.0 110.932 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 32' ' ' LEU . 6.2 tt -123.38 140.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.901 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -114.8 111.59 21.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.19 152.88 5.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -72.01 -52.28 17.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.71 -48.67 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.747 -174.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.28 -58.69 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.6 -152.05 20.14 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -87.18 128.27 35.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 24' ' ' ILE . 87.7 mt -117.65 144.02 45.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.981 0.42 . . . . 0.0 110.853 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -118.63 129.73 55.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.711 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -144.47 144.39 31.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 111.527 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 41.4 tt0 -134.2 136.9 44.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.134 175.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 97.8 mttt 65.56 20.45 11.65 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.16 0.505 . . . . 0.0 110.21 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.74 -14.34 58.63 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.199 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -94.14 123.71 37.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.155 0.979 . . . . 0.0 110.812 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -74.75 130.78 40.09 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.285 -1.779 . . . . 0.0 111.53 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.73 156.73 20.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.353 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.5 tp -131.69 110.77 14.73 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.639 0.256 . . . . 0.0 111.071 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.84 173.74 2.09 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.834 2.356 . . . . 0.0 111.923 173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -44.39 -64.95 0.58 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -114.36 -48.65 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.701 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m 61.17 -163.97 0.25 Allowed 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.699 0.624 . . . . 0.0 110.797 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 49' ' ' VAL . 6.8 mp -94.43 142.02 24.27 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -47.98 -53.25 6.91 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.172 2.581 . . . . 0.0 113.185 -176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -60.75 -37.47 81.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 46' ' ' LEU . 43.5 t -72.17 -44.51 64.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.689 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 85.5 tttt -60.57 -45.97 91.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.99 -45.08 94.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.765 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -59.15 -46.0 89.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.53 -40.13 83.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 120.662 0.268 . . . . 0.0 110.943 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 50' ' ' LYS . 96.8 mt -65.47 -44.2 87.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -35.95 80.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 60' ' ' ILE . 56.8 mt -64.19 -45.69 87.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 60' ' ' ILE . 16.2 m-80 -59.91 -32.85 71.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 176.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.19 -52.89 61.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.734 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 10' ' ' LYS . 43.3 tp -59.13 -39.14 81.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.766 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 56' ' ' LEU . 87.2 mt -59.15 -54.41 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.25 -27.65 66.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.891 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.62 -27.18 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 111.371 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -87.63 -17.0 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.502 . . . . 0.0 110.867 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -84.21 -48.67 9.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.391 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.99 76.22 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.576 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.58 144.33 21.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -75.97 63.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.526 0.679 . . . . 0.0 111.246 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -131.44 88.89 2.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.507 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.7 m -92.79 88.18 6.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.038 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.48 166.5 30.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.207 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.96 169.82 15.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.047 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.09 55.01 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.208 1.004 . . . . 0.0 108.843 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 69.7 m80 70.01 37.35 1.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.696 -1.593 . . . . 0.0 110.442 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.909 -179.188 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.606 ' HG2' ' HB ' ' A' ' 23' ' ' VAL . 64.3 mtm . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.632 ' HB3' HG12 ' A' ' 24' ' ' ILE . 6.0 tpp180 -132.03 122.96 26.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.6 175.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 25' ' ' TRP . 59.2 t -103.81 128.71 56.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.965 0.412 . . . . 0.0 111.623 -176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -111.78 120.94 41.09 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.17 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.53 -25.62 47.69 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.988 2.458 . . . . 0.0 112.027 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -128.48 147.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -63.03 97.48 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -120.31 82.81 31.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.373 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.94 -54.57 4.86 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.803 3.002 . . . . 0.0 112.877 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -50.28 -47.91 55.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.405 -1.27 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD13 ' HB1' ' A' ' 8' ' ' ALA . 8.4 mp -66.71 -45.01 80.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -178.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.4 mt -58.35 -52.43 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.938 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 60' ' ' ILE . 77.1 t -61.0 -45.33 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.207 -176.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.25 -27.33 65.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 111.188 -174.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -87.04 -24.86 24.47 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.206 -0.309 . . . . 0.0 110.824 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.62 -22.4 65.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.802 0.334 . . . . 0.0 111.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -56.2 -38.18 70.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 110.738 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.12 -34.82 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' O ' ' HE1' ' A' ' 34' ' ' PHE . 77.7 m-85 -89.0 9.59 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.799 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 21' ' ' THR . 3.1 pp -32.39 -27.34 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.499 ' N ' HD12 ' A' ' 20' ' ' LEU . 2.1 t -113.1 101.26 9.28 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.454 0.57 . . . . 0.0 110.359 175.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.24 -165.71 38.77 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.844 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.606 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 14.8 t -132.8 135.56 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.632 HG12 ' HB3' ' A' ' 2' ' ' ARG . 14.0 mt -118.36 126.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.549 ' HB2' HG22 ' A' ' 3' ' ' VAL . 15.1 m95 -104.03 113.23 26.62 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.379 0.609 . . . . 0.0 111.132 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -105.09 146.51 12.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.0 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -70.85 -38.89 73.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.313 0.578 . . . . 0.0 110.433 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.6 -25.48 63.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.075 -175.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 49' ' ' VAL . 89.2 mt -118.45 -68.15 0.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 111.339 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.7 -136.22 6.32 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptp85 -79.2 130.2 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 39' ' ' PHE . 86.4 mt -116.65 90.56 3.36 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.557 ' HG3' HG22 ' A' ' 23' ' ' VAL . 31.5 tt0 -91.35 135.97 33.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 39' ' ' PHE . 12.8 p90 -146.76 150.78 36.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.15 0.5 . . . . 0.0 111.034 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -141.19 131.91 25.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.331 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 63.31 19.84 11.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.31 0.381 . . . . 0.0 111.164 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' HB2' ' A' ' 20' ' ' LEU . . . 92.51 -8.94 76.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.7 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -96.08 117.66 31.13 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-O 121.49 0.662 . . . . 0.0 110.413 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 34' ' ' PHE . 23.8 m-85 -58.19 121.85 11.73 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.344 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' A' ' 33' ' ' GLU . 85.0 mt -79.12 103.2 8.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.011 0.434 . . . . 0.0 110.517 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD13 HD12 ' A' ' 53' ' ' ILE . 40.0 tp -107.33 98.89 24.9 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.626 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 2.9 Cg_exo -75.06 -174.56 1.99 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.303 2.668 . . . . 0.0 112.218 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -67.84 -34.95 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.169 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -89.54 114.38 25.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.042 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 p -160.77 126.78 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.0 134.2 91.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.521 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.81 -42.23 24.72 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.361 2.707 . . . . 0.0 113.316 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.29 -48.29 80.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' HA ' HD22 ' A' ' 29' ' ' LEU . 44.8 t -76.47 -40.99 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.285 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 54' ' ' LEU . 61.6 tttp -57.29 -47.7 80.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.573 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -61.9 -39.67 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.718 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 56' ' ' LEU . . . -64.69 -40.43 95.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 49' ' ' VAL . 76.0 mt -64.25 -32.86 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 50' ' ' LYS . 7.5 mp -63.66 -45.37 90.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.035 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.33 -41.05 92.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' O ' HG13 ' A' ' 60' ' ' ILE . 88.2 mt -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.03 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 21.7 m-80 -63.2 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.761 0.315 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.09 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.224 0.535 . . . . 0.0 109.842 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD23 HG21 ' A' ' 13' ' ' VAL . 42.7 tp -57.88 -40.12 79.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.451 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 56' ' ' LEU . 81.8 mt -57.24 -53.15 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.15 -46.28 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.83 71.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -82.05 -18.84 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -99.98 5.4 45.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.237 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.24 -2.46 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 0.84 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 68' ' ' LYS . 1.2 m -102.22 -10.82 19.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.286 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 67' ' ' THR . 7.6 ttpm? 67.64 104.76 0.05 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.067 -171.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 p -58.81 -35.65 73.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.589 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 37.77 27.27 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.376 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.8 tt -70.56 -32.95 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -67.66 -20.11 65.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.307 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -78.59 96.49 5.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.636 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.2 176.821 . . . . . . . . 0 0 . 1 stop_ save_