data_1eqx_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 1eqx _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -64.42 -47.55 78.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.664 0.269 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -61.72 -40.8 96.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.444 0.64 . . . . 0.0 109.481 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.561 HD13 ' H ' ' A' ' 7' ' ' LEU . 7.4 mp -64.25 -47.65 78.79 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 14.9 p -66.4 -42.31 88.05 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.609 0.242 . . . . 0.0 111.208 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.02 -50.06 75.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.417 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -63.66 -36.87 85.25 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.41 -50.45 69.79 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.941 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 14' ' ' GLY . 90.8 mt -60.94 -51.22 70.2 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.893 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.51 32.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.491 0.662 . . . . 0.0 111.336 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 12' ' ' LEU . . . -128.27 -59.4 0.12 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.18 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.11 -37.89 32.72 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.676 -0.308 . . . . 0.0 111.532 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.31 -42.37 99.31 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.278 0.561 . . . . 0.0 110.58 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.949 179.044 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 120.898 0.38 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -65.53 -56.28 13.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.644 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -34.36 76.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.823 0.344 . . . . 0.0 110.505 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.97 -47.0 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.002 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -70.26 -38.39 75.12 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.877 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.54 -47.79 83.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -62.27 -38.64 90.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.59 -49.75 72.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.111 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.04 -52.32 59.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.907 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.03 37.43 0.76 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.408 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.08 -55.97 0.03 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.512 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -89.49 -50.27 6.2 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.093 0.447 . . . . 0.0 111.673 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.95 -38.79 92.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.186 0.517 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 . . . . . 0 CA--C 1.533 0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.841 178.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -73.84 -48.49 30.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.956 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.32 -44.52 97.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.441 0.639 . . . . 0.0 109.832 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.03 -47.68 83.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.562 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 p -66.74 -43.73 83.4 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.936 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 13' ' ' LEU . 56.3 tp -57.63 -46.33 84.27 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.486 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.16 -38.52 89.34 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.588 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.01 -46.12 79.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 8' ' ' THR . 75.6 mt -60.93 -59.72 4.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 9' ' ' LEU . 76.5 mt -87.94 42.45 1.06 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.697 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.21 -53.65 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.429 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 2.7 mm-40 -108.26 -42.6 4.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.52 -52.91 33.35 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.642 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -61.96 -53.6 53.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 111.86 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.01 -36.04 82.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -67.23 -49.28 65.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.22 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -63.65 -38.72 92.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.81 -47.81 83.48 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.005 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.83 -38.8 89.85 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.773 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -65.02 -52.2 57.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.509 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.49 -56.74 17.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.962 0.411 . . . . 0.0 110.029 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.62 42.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.396 0.617 . . . . 0.0 110.692 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.47 -58.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -111.54 -42.54 3.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.235 0.517 . . . . 0.0 112.11 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.03 -55.54 24.73 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.215 178.48 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.465 0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.633 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.3 t -60.27 -49.31 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -56.15 -42.98 77.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.928 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.82 -41.46 97.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.76 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 81.6 p -61.96 -46.48 89.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.489 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 5' ' ' SER . 7.6 mt -64.92 -46.49 81.45 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.22 -41.33 83.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.877 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.71 -48.29 75.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.226 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.9 mt -61.42 -50.46 72.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.808 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.18 -45.31 87.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.691 0.282 . . . . 0.0 110.782 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.86 62.96 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.098 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 3.8 mm-40 -63.51 -39.17 93.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.584 0.231 . . . . 0.0 111.556 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -37.95 82.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.658 0.266 . . . . 0.0 111.123 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -66.13 -55.04 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.0 -44.46 94.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.336 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 7' ' ' LEU . 93.1 mt -60.14 -45.31 93.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.448 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.461 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 20.8 p -70.37 -46.7 63.55 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.288 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD13 HD12 ' A' ' 13' ' ' LEU . 41.8 tp -58.72 -47.55 84.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.236 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.39 -41.22 96.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.3 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.0 -48.47 71.08 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.391 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.6 mt -61.08 -50.62 72.51 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.622 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.611 HD12 HD13 ' A' ' 9' ' ' LEU . 9.4 mp -85.97 39.3 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.181 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.82 -57.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.97 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -39.35 89.35 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.983 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.31 -5.74 41.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.516 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -72.11 -47.65 49.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.852 0.358 . . . . 0.0 110.441 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.1 -42.13 99.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.298 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 7' ' ' LEU . 94.6 mt -61.28 -45.03 96.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.229 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -71.79 -44.28 64.24 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.209 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.01 -46.55 90.3 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.407 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -59.25 -42.87 92.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.63 -43.37 66.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -53.84 -50.17 66.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.818 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -91.3 46.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.329 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.14 -54.01 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.401 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -73.73 -35.62 65.09 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.08 0.44 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -72.02 -40.93 68.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.146 0.498 . . . . 0.0 109.961 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 14.4 mmp_? . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -65.94 -38.39 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.251 0.548 . . . . 0.0 109.946 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HA ' HD22 ' A' ' 9' ' ' LEU . 3.6 mp0 -60.04 -46.87 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.674 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.3 mm? -70.94 -41.93 70.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -64.89 -42.36 94.84 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 6' ' ' GLU . 4.4 pp -63.92 -35.23 79.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.023 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.46 -40.12 92.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.59 -46.59 82.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.209 0.528 . . . . 0.0 110.099 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.71 -56.65 12.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.902 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 6.7 mp -89.15 41.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.274 0.559 . . . . 0.0 111.485 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.15 -53.41 0.03 OUTLIER Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.207 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -105.23 -47.82 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 0.0 110.553 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -67.6 -55.76 12.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.923 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 31.6 ttm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.579 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -60.2 -43.83 95.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -59.22 -44.92 92.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -47.12 84.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.935 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.635 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.5 p -66.36 -48.36 70.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.158 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.31 -45.88 83.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -56.74 -40.12 75.19 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -73.53 -45.64 52.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.995 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 8' ' ' THR . 71.6 mt -59.65 -53.24 60.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.83 48.33 1.01 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.22 0.533 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -43.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -108.65 -48.48 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.393 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.61 -42.59 91.4 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 17' ' ' ARG . 29.5 mtt85 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -74.6 -48.31 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.84 -44.54 96.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.656 0.265 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.26 -44.73 90.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.398 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 21.6 p -66.84 -40.93 88.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.904 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.52 -46.5 88.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.126 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -60.35 -45.07 94.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.35 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.35 -49.18 76.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.216 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 8' ' ' THR . 97.4 mt -60.61 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.735 ' HA ' HH21 ' A' ' 17' ' ' ARG . 36.1 tp -57.38 -45.89 83.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.31 -43.85 44.95 Favored Glycine 0 CA--C 1.521 0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 113.708 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -40.79 94.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.204 0.502 . . . . 0.0 111.282 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.71 -42.55 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.735 HH21 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mtm-85 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.916 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.1 -48.17 77.16 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.19 -43.73 82.97 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.748 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.427 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 p -70.45 -44.67 67.32 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.833 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 33.1 tp -60.42 -47.1 87.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.282 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -56.16 -43.87 78.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.48 -45.2 95.24 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.3 mt -60.49 -44.64 95.73 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.776 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 98.1 mt -62.52 -42.72 99.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -44.45 97.61 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.96 -36.26 83.83 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 109.52 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -68.62 -51.31 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.59 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.179 -179.881 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 p . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -65.71 -44.56 85.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -61.09 -40.09 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 109.895 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 tp -71.51 -48.67 47.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.732 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.3 p -63.39 -50.14 71.05 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.63 -46.15 89.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.412 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HA ' HD13 ' A' ' 13' ' ' LEU . 8.0 tt0 -64.63 -42.2 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.88 -39.77 94.96 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.592 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 8' ' ' THR . 87.4 mt -54.59 -32.83 59.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -114.84 31.79 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 0.0 110.452 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.2 -102.36 1.7 Allowed Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -73.64 -33.71 64.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.493 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.85 -22.59 66.99 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.465 0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -64.63 -41.51 96.12 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -55.27 -39.63 70.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.559 0.695 . . . . 0.0 110.626 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 26.6 tp -63.89 -43.78 94.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.079 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 34.4 p -49.69 -46.11 49.62 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.24 -51.1 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 0.0 111.598 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -62.11 -38.93 90.74 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.377 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 55.6 mt-10 -63.35 -46.51 86.24 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.712 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -57.03 -44.62 83.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.975 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HA ' HH11 ' A' ' 17' ' ' ARG . 7.1 mp -90.44 41.95 1.08 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.398 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -54.65 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.47 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -70.75 -47.37 59.98 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.22 -32.82 72.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.439 HH11 ' HA ' ' A' ' 13' ' ' LEU . 65.8 mtt85 . . . . . 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.118 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -63.13 -45.22 93.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.544 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 7' ' ' LEU . 4.1 mm? -67.57 -42.63 82.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.61 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.3 p -66.83 -43.56 83.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.816 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 52.8 tp -61.23 -47.11 87.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.629 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -58.41 -40.71 83.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.173 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.44 -46.16 81.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.279 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 96.0 mt -58.78 -49.21 78.5 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.221 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 87.6 mt -59.39 -40.44 86.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.11 97.73 Favored Glycine 0 C--O 1.224 -0.476 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.216 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.99 -41.31 64.44 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 0.0 111.426 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -78.0 -37.14 47.79 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.017 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -56.64 -38.38 72.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.55 -49.64 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 109.291 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.63 -44.51 93.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.461 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 45.9 p -63.74 -43.14 97.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.305 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.46 -47.84 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.001 0.429 . . . . 0.0 110.206 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.67 -40.36 87.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.96 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.04 -46.56 83.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.715 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.6 mt -59.99 -47.38 86.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.329 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.5 mt -63.48 -39.62 94.94 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.29 94.28 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.435 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.11 -42.17 94.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.907 0.353 . . . . 0.0 110.134 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.93 -43.12 99.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -58.11 -43.52 87.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.57 -49.57 76.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.47 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HA ' HD11 ' A' ' 7' ' ' LEU . 32.7 tp -60.92 -45.95 92.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.21 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.2 -46.32 90.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.775 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 13' ' ' LEU . 42.0 tp -60.37 -45.49 93.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.02 -40.05 92.1 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.892 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.6 -46.4 69.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.809 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.64 -48.34 75.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.607 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 HD13 ' A' ' 9' ' ' LEU . 8.9 mp -86.39 40.03 0.86 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.164 0.507 . . . . 0.0 111.245 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.62 -51.72 0.01 OUTLIER Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.974 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 17' ' ' ARG . 16.4 tp10 -62.32 -49.51 75.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.096 0.448 . . . . 0.0 111.318 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.7 25.24 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.942 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 15' ' ' GLU . 99.3 mtt180 . . . . . 0 CA--C 1.532 0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -63.81 -50.41 69.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.804 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.7 -46.77 86.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.007 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.64 -45.22 91.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.827 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.65 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 26.8 p -68.09 -45.6 73.3 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.352 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.72 -50.51 73.55 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.48 -43.42 96.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.23 -38.08 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 8' ' ' THR . 93.9 mt -57.9 -47.54 82.5 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 13' ' ' LEU . 8.6 mp -83.72 45.85 1.11 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.993 177.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.58 -52.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.252 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -52.77 -56.93 12.08 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.251 0.548 . . . . 0.0 110.436 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.65 41.27 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.905 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.195 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.663 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.6 t -61.97 -61.77 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.389 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.79 -36.55 83.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.034 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -43.7 95.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.256 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.444 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 11.5 p -67.59 -44.34 78.39 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.957 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 5' ' ' SER . 17.5 mt -62.15 -48.74 78.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.106 0.479 . . . . 0.0 110.229 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -62.16 -34.96 77.4 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.23 -49.55 64.05 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.342 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 86.2 mt -62.64 -52.53 62.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.266 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.97 42.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.828 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.23 -54.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.12 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.24 -33.04 5.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -56.44 -48.15 77.61 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 179.243 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 2.8 ptp180 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 121.055 0.455 . . . . 0.0 109.963 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.3 p . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -73.87 -54.46 7.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.038 0.447 . . . . 0.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.034 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -60.62 -47.77 84.76 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.588 178.516 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.454 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 24.8 m -64.19 -43.46 95.01 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.93 -48.45 79.86 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -59.18 -41.73 89.15 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.097 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.55 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.809 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.2 mt -57.52 -50.92 71.49 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HG ' ' NE ' ' A' ' 17' ' ' ARG . 43.1 tp -58.94 -33.7 70.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.016 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.41 -47.32 85.59 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.82 -39.91 87.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.206 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.27 -37.04 81.73 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.945 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' NE ' ' HG ' ' A' ' 13' ' ' LEU . 85.9 mtm180 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.769 0.318 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -59.72 -44.08 93.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.232 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.25 -45.43 91.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.445 0.64 . . . . 0.0 109.897 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.08 -49.64 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.798 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 40.0 p -63.26 -43.39 98.12 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.426 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.03 -49.5 77.13 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.787 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -58.97 -39.86 83.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.696 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -69.37 -51.37 37.37 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.793 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 8' ' ' THR . 91.3 mt -58.57 -47.16 85.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 110.791 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.13 38.44 0.77 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.189 0.519 . . . . 0.0 111.569 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.11 -60.04 0.01 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.254 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.03 -49.02 61.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.9 -24.85 52.49 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.506 0.67 . . . . 0.0 110.226 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 . . . . . 0 CA--C 1.537 0.476 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.035 179.892 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 t -59.64 -51.56 69.3 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -63.35 -38.86 92.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.15 -39.33 94.35 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.678 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -66.5 -38.54 87.46 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.102 0.477 . . . . 0.0 110.173 178.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.59 -42.26 74.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.686 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.21 -41.97 94.15 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 110.681 179.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.86 -49.71 49.66 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.414 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 12' ' ' LEU . 89.3 mt -58.87 -51.88 68.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.407 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 tp -96.52 46.37 1.06 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.56 -54.26 0.02 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.56 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 tp10 -72.82 -39.59 66.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.164 0.482 . . . . 0.0 111.169 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.3 3.99 4.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.699 0.762 . . . . 0.0 110.622 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 26.6 ptt85 . . . . . 0 CA--C 1.54 0.586 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.351 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -55.81 -46.82 77.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.612 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.58 -43.86 89.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.14 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.17 -44.67 91.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.5 m -65.36 -45.68 83.18 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 13' ' ' LEU . 31.3 tp -56.38 -45.53 80.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.051 179.274 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.64 -41.83 86.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.24 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.34 -49.24 28.4 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.113 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -59.67 -47.73 84.46 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 111.524 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 9' ' ' LEU . 9.6 mp -94.62 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.421 0.629 . . . . 0.0 111.459 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -94.72 0.1 Allowed Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.304 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.523 0.201 . . . . 0.0 111.456 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -85.68 -30.68 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.952 178.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.3 ttp180 . . . . . 0 CA--C 1.531 0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.232 179.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.8 p . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -63.89 -44.2 93.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 178.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.29 -45.94 78.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.35 -44.82 95.19 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.871 179.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -65.06 -42.83 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.665 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.95 -46.32 85.19 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 177.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.05 -46.11 85.93 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.22 179.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.93 -45.44 89.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.472 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 11.4 tp -59.71 -49.38 77.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.216 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 17' ' ' ARG . 50.5 tp -66.29 -43.45 86.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.37 -59.85 3.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 -177.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.82 -48.32 6.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 12' ' ' LEU . 82.8 tt0 -63.2 -47.31 83.1 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.472 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.62 ' HD3' HD13 ' A' ' 13' ' ' LEU . 3.3 ttt-85 . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.635 0.606 . . . . 1.8700000000000001 112.635 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -65.7 -44.64 85.53 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.775 0.287 . . . . 1.8999999999999999 111.775 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.41 -44.65 82.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.681 0.277 . . . . 3.1800000000000002 110.751 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 3.02 111.111 179.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.6 p -68.54 -45.26 72.65 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.608 -0.437 . . . . 1.8700000000000001 110.465 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 13' ' ' LEU . 46.0 tp -60.17 -49.97 75.52 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.435 -0.348 . . . . 2.3900000000000001 110.941 178.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.37 -40.07 89.47 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.869 0.366 . . . . 3.79 110.838 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.27 -46.98 81.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.12 -0.491 . . . . 2.6499999999999999 111.162 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.2 mt -60.15 -48.22 82.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.996 0.426 . . . . 2.1099999999999999 110.294 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 8.3 mp -84.05 41.36 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.347 0.594 . . . . 2.71 111.848 179.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.65 -51.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.462 -0.79 . . . . 0.95999999999999996 112.002 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -75.2 -50.18 17.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.896 0.379 . . . . 3.5099999999999998 111.052 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.79 -40.93 60.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.078 0.466 . . . . 3.6099999999999999 110.22 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 71.4 mtt-85 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 112.819 0.674 . . . . 5.5599999999999996 112.819 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.547 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 1.1 pp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.697 0.284 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.68 44.73 1.71 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.803 2.335 . . . . 0.0 113.143 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' HG2' ' HB ' ' A' ' 1' ' ' ILE . 32.3 mm-40 -78.13 -23.35 47.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 p 69.4 -39.16 0.42 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.205 1.002 . . . . 0.0 111.901 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -64.42 -47.55 78.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.664 0.269 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -61.72 -40.8 96.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.444 0.64 . . . . 0.0 109.481 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.561 HD13 ' H ' ' A' ' 7' ' ' LEU . 7.4 mp -64.25 -47.65 78.79 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 14.9 p -66.4 -42.31 88.05 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.609 0.242 . . . . 0.0 111.208 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.02 -50.06 75.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.417 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -63.66 -36.87 85.25 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.41 -50.45 69.79 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.941 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 14' ' ' GLY . 90.8 mt -60.94 -51.22 70.2 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.893 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.51 32.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.491 0.662 . . . . 0.0 111.336 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 12' ' ' LEU . . . -128.27 -59.4 0.12 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.18 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.11 -37.89 32.72 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.676 -0.308 . . . . 0.0 111.532 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.31 -42.37 99.31 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.278 0.561 . . . . 0.0 110.58 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -106.88 40.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.949 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HD3' ' OXT' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.936 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 7.3 tt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.656 ' HB2' ' HB3' ' A' ' 5' ' ' SER . 2.6 Cg_endo -80.63 106.94 1.9 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.651 2.234 . . . . 0.0 112.424 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -58.09 -45.81 86.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.777 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p -59.81 -38.6 82.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.322 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.656 ' HB3' ' HB2' ' A' ' 2' ' ' PRO . 4.5 t -65.53 -56.28 13.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.644 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 0.3 OUTLIER -62.26 -34.36 76.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.823 0.344 . . . . 0.0 110.505 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.97 -47.0 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.002 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -70.26 -38.39 75.12 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.877 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.54 -47.79 83.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -62.27 -38.64 90.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.59 -49.75 72.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.111 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.04 -52.32 59.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.907 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.03 37.43 0.76 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.408 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.08 -55.97 0.03 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.512 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -89.49 -50.27 6.2 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.093 0.447 . . . . 0.0 111.673 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.95 -38.79 92.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.186 0.517 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -102.02 37.63 1.82 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.841 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 4.8 tpm_? . . . . . 0 C--O 1.257 1.49 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.738 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.44 HG21 ' HG3' ' A' ' 3' ' ' GLU . 8.1 tt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.615 0.245 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.68 66.82 3.04 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.211 2.608 . . . . 0.0 113.262 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.583 ' HA ' HD12 ' A' ' 7' ' ' LEU . 46.2 mt-10 -69.91 55.37 0.13 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -168.63 -54.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.981 0.42 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -73.84 -48.49 30.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.956 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.32 -44.52 97.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.441 0.639 . . . . 0.0 109.832 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 3' ' ' GLU . 10.9 mp -62.03 -47.68 83.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.562 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 p -66.74 -43.73 83.4 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.936 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 13' ' ' LEU . 56.3 tp -57.63 -46.33 84.27 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.486 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.16 -38.52 89.34 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.588 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.01 -46.12 79.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 8' ' ' THR . 75.6 mt -60.93 -59.72 4.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 9' ' ' LEU . 76.5 mt -87.94 42.45 1.06 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.697 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.21 -53.65 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.429 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 2.7 mm-40 -108.26 -42.6 4.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.52 -52.91 33.35 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.03 70.57 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.642 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.443 179.038 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.425 HG21 ' HD2' ' A' ' 2' ' ' PRO . 59.6 mt . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HD2' HG21 ' A' ' 1' ' ' ILE . 53.1 Cg_endo -74.12 129.88 13.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.26 1.974 . . . . 0.0 112.449 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 1.004 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 54.9 mm-40 -59.74 -38.1 80.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.463 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' HG ' ' C ' ' A' ' 3' ' ' GLU . 87.2 p 54.39 -89.82 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.546 0.738 . . . . 0.0 112.201 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -61.96 -53.6 53.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 111.86 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.01 -36.04 82.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.004 ' HB2' ' HB2' ' A' ' 3' ' ' GLU . 36.5 tp -67.23 -49.28 65.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.22 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -63.65 -38.72 92.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.81 -47.81 83.48 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.005 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.83 -38.8 89.85 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.773 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -65.02 -52.2 57.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.509 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.49 -56.74 17.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.962 0.411 . . . . 0.0 110.029 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.62 42.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.396 0.617 . . . . 0.0 110.692 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.47 -58.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 78.3 tt0 -111.54 -42.54 3.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.235 0.517 . . . . 0.0 112.11 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.03 -55.54 24.73 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 25.7 ttt-85 -75.87 -36.01 59.7 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.215 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' ' 18' ' ' ARG . 1.9 mmp_? . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.708 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.503 HG21 ' HD2' ' A' ' 2' ' ' PRO . 49.0 mt . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.503 ' HD2' HG21 ' A' ' 1' ' ' ILE . 60.0 Cg_endo -73.44 57.53 3.55 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.794 2.329 . . . . 0.0 112.894 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 18.2 mt-10 -72.12 49.74 0.2 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.1 p -65.96 -46.35 78.43 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.633 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.3 t -60.27 -49.31 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 3' ' ' GLU . 12.4 mp0 -56.15 -42.98 77.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.928 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.82 -41.46 97.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.76 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 81.6 p -61.96 -46.48 89.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.489 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 5' ' ' SER . 7.6 mt -64.92 -46.49 81.45 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.22 -41.33 83.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.877 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.71 -48.29 75.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.226 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.9 mt -61.42 -50.46 72.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.808 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.18 -45.31 87.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.691 0.282 . . . . 0.0 110.782 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.86 62.96 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.098 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' CD ' HH21 ' A' ' 18' ' ' ARG . 3.8 mm-40 -63.51 -39.17 93.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.584 0.231 . . . . 0.0 111.556 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -37.95 82.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.658 0.266 . . . . 0.0 111.123 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -78.2 -66.87 0.79 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.497 HH21 ' CD ' ' A' ' 15' ' ' GLU . 99.7 mtt180 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.588 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.367 0.127 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.87 119.39 6.39 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.243 1.962 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.48 -15.37 49.57 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -51.25 -35.35 36.76 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.861 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -66.13 -55.04 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.0 -44.46 94.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.336 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 7' ' ' LEU . 93.1 mt -60.14 -45.31 93.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.448 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.461 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 20.8 p -70.37 -46.7 63.55 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.288 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD13 HD12 ' A' ' 13' ' ' LEU . 41.8 tp -58.72 -47.55 84.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.236 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.39 -41.22 96.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.3 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.0 -48.47 71.08 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.391 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.6 mt -61.08 -50.62 72.51 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.622 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD12 HD13 ' A' ' 9' ' ' LEU . 9.4 mp -85.97 39.3 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.181 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.82 -57.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.97 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 39.4 tt0 -66.28 -39.35 89.35 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.983 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.31 -5.74 41.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.516 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -131.56 44.15 2.97 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' HE ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.341 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.152 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.75 ' H2 ' HD12 ' A' ' 1' ' ' ILE . 4.5 mp . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.85 109.44 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.11 1.873 . . . . 0.0 113.203 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -62.56 -34.7 77.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.758 0.313 . . . . 0.0 111.674 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.7 p -75.23 39.04 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -72.11 -47.65 49.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.852 0.358 . . . . 0.0 110.441 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.1 -42.13 99.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.298 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 7' ' ' LEU . 94.6 mt -61.28 -45.03 96.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.229 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -71.79 -44.28 64.24 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.209 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.01 -46.55 90.3 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.407 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -59.25 -42.87 92.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.63 -43.37 66.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -53.84 -50.17 66.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.818 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -91.3 46.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.329 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.14 -54.01 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.401 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 4.6 tp10 -73.73 -35.62 65.09 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.08 0.44 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -72.02 -40.93 68.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.146 0.498 . . . . 0.0 109.961 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 14.4 mmp_? -85.65 48.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 49.1 mmm-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.317 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.407 HG13 ' HD2' ' A' ' 2' ' ' PRO . 10.4 tt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.5 0.19 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD2' HG13 ' A' ' 1' ' ' ILE . 37.3 Cg_endo -69.39 123.15 9.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.107 1.871 . . . . 0.0 112.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.78 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.316 0.579 . . . . 0.0 111.185 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 p -160.3 -52.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.083 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -65.94 -38.39 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.251 0.548 . . . . 0.0 109.946 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HA ' HD22 ' A' ' 9' ' ' LEU . 3.6 mp0 -60.04 -46.87 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.674 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.3 mm? -70.94 -41.93 70.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -64.89 -42.36 94.84 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 6' ' ' GLU . 4.4 pp -63.92 -35.23 79.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.023 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.46 -40.12 92.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.59 -46.59 82.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.209 0.528 . . . . 0.0 110.099 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.71 -56.65 12.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.902 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 6.7 mp -89.15 41.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.274 0.559 . . . . 0.0 111.485 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.507 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -145.15 -53.41 0.03 OUTLIER Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.207 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -105.23 -47.82 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 0.0 110.553 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -67.6 -55.76 12.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.923 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 31.6 ttm180 -99.23 57.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.579 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 16.5 ptm180 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.298 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 37.7 pt . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 120.516 0.198 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 17.2 Cg_exo -67.1 121.78 9.0 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.644 2.229 . . . . 0.0 112.613 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.74 52.07 0.4 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 p -172.25 -52.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -60.2 -43.83 95.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -59.22 -44.92 92.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -47.12 84.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.935 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.635 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.5 p -66.36 -48.36 70.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.158 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.31 -45.88 83.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -56.74 -40.12 75.19 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -73.53 -45.64 52.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.995 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 8' ' ' THR . 71.6 mt -59.65 -53.24 60.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.83 48.33 1.01 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.22 0.533 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -43.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -108.65 -48.48 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.393 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.61 -42.59 91.4 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 17' ' ' ARG . 29.5 mtt85 -104.18 -52.11 2.99 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.385 -177.846 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 53.5 mt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 8.0 Cg_exo -72.49 57.99 3.02 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.131 2.554 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.56 -52.69 16.79 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.115 0.566 . . . . 0.0 112.498 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -54.99 -43.51 73.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -74.6 -48.31 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.84 -44.54 96.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.656 0.265 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.26 -44.73 90.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.398 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 21.6 p -66.84 -40.93 88.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.904 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.52 -46.5 88.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.126 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -60.35 -45.07 94.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.35 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.35 -49.18 76.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.216 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 8' ' ' THR . 97.4 mt -60.61 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.735 ' HA ' HH21 ' A' ' 17' ' ' ARG . 36.1 tp -57.38 -45.89 83.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.31 -43.85 44.95 Favored Glycine 0 CA--C 1.521 0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 113.708 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 18' ' ' ARG . 4.7 tp10 -65.29 -40.79 94.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.204 0.502 . . . . 0.0 111.282 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.71 -42.55 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.735 HH21 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mtm-85 -110.86 59.47 0.61 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 15' ' ' GLU . 37.4 mmt180 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.794 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.536 HG13 ' HD2' ' A' ' 2' ' ' PRO . 17.6 tt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.428 0.156 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.536 ' HD2' HG13 ' A' ' 1' ' ' ILE . 56.0 Cg_endo -70.23 44.0 0.44 Allowed 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.902 2.401 . . . . 0.0 114.366 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' HG3' HG12 ' A' ' 1' ' ' ILE . 43.7 mt-10 -85.19 84.65 7.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.816 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -51.1 -41.6 60.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.916 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.1 -48.17 77.16 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.19 -43.73 82.97 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.748 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.427 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 p -70.45 -44.67 67.32 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.833 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 33.1 tp -60.42 -47.1 87.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.282 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -56.16 -43.87 78.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.48 -45.2 95.24 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.3 mt -60.49 -44.64 95.73 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.776 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 98.1 mt -62.52 -42.72 99.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -44.45 97.61 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 35.7 tt0 -64.96 -36.26 83.83 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 109.52 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -68.62 -51.31 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.59 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -88.81 55.73 3.47 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.179 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 2.9 mmm180 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.375 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.954 0.407 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.33 55.42 3.03 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.035 2.49 . . . . 0.0 114.249 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 54.3 mt-10 -75.22 49.01 0.44 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.062 0.458 . . . . 0.0 111.621 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 p -75.49 -43.08 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.574 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -65.71 -44.56 85.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 3' ' ' GLU . 6.8 mp0 -61.09 -40.09 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 109.895 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 tp -71.51 -48.67 47.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.732 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.3 p -63.39 -50.14 71.05 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.63 -46.15 89.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.412 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HA ' HD13 ' A' ' 13' ' ' LEU . 8.0 tt0 -64.63 -42.2 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.88 -39.77 94.96 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.592 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 8' ' ' THR . 87.4 mt -54.59 -32.83 59.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -114.84 31.79 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 0.0 110.452 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.2 -102.36 1.7 Allowed Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 18.3 tp10 -73.64 -33.71 64.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.493 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.85 -22.59 66.99 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -133.64 46.12 2.59 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.289 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.917 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 38.4 pt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.917 ' HD2' ' HB ' ' A' ' 1' ' ' ILE . 42.9 Cg_endo -68.47 51.87 0.62 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.427 2.085 . . . . 0.0 113.21 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.648 ' HG3' HG13 ' A' ' 1' ' ' ILE . 1.6 mt-10 -57.11 -51.07 70.76 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.164 0.586 . . . . 0.0 112.125 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p -68.73 -41.13 79.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -64.63 -41.51 96.12 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -55.27 -39.63 70.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.559 0.695 . . . . 0.0 110.626 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 26.6 tp -63.89 -43.78 94.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.079 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 34.4 p -49.69 -46.11 49.62 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.24 -51.1 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 0.0 111.598 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -62.11 -38.93 90.74 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.377 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 55.6 mt-10 -63.35 -46.51 86.24 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.712 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -57.03 -44.62 83.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.975 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HA ' HH11 ' A' ' 17' ' ' ARG . 7.1 mp -90.44 41.95 1.08 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.398 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -54.65 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.47 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -70.75 -47.37 59.98 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.22 -32.82 72.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.439 HH11 ' HA ' ' A' ' 13' ' ' LEU . 65.8 mtt85 -79.71 -47.63 15.01 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.118 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmp_? . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.341 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.265 0.079 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.62 135.01 37.29 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.821 2.348 . . . . 0.0 113.209 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -72.63 50.59 0.25 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.5 p -66.03 -30.38 70.91 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -63.13 -45.22 93.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.544 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 7' ' ' LEU . 4.1 mm? -67.57 -42.63 82.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.61 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.3 p -66.83 -43.56 83.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.816 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 52.8 tp -61.23 -47.11 87.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.629 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -58.41 -40.71 83.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.173 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.44 -46.16 81.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.279 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 96.0 mt -58.78 -49.21 78.5 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.221 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 87.6 mt -59.39 -40.44 86.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -64.17 -40.11 97.73 Favored Glycine 0 C--O 1.224 -0.476 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.216 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 16.9 tp10 -72.99 -41.31 64.44 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 0.0 111.426 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -78.0 -37.14 47.79 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -122.44 56.11 1.13 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 7.2 ptp180 . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.865 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.723 ' HB ' ' CD ' ' A' ' 2' ' ' PRO . 39.4 pt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.723 ' CD ' ' HB ' ' A' ' 1' ' ' ILE . 22.0 Cg_exo -66.82 53.36 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 122.442 2.095 . . . . 0.0 113.839 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG3' HG13 ' A' ' 1' ' ' ILE . 2.4 mt-10 -76.31 52.37 0.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.993 0.517 . . . . 0.0 111.641 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.7 p -64.77 -37.8 88.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -56.64 -38.38 72.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.55 -49.64 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 109.291 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.63 -44.51 93.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.461 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 45.9 p -63.74 -43.14 97.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.305 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.46 -47.84 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.001 0.429 . . . . 0.0 110.206 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.67 -40.36 87.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.96 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.04 -46.56 83.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.715 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.6 mt -59.99 -47.38 86.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.329 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.5 mt -63.48 -39.62 94.94 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.29 94.28 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.435 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.11 -42.17 94.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.907 0.353 . . . . 0.0 110.134 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.93 -43.12 99.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -101.26 52.24 0.84 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.987 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 9.3 tt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.507 0.194 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 14.3 Cg_exo -70.15 73.51 1.55 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.122 2.548 . . . . 0.0 113.129 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 1' ' ' ILE . 89.3 mt-10 -70.29 55.99 0.15 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.216 0.531 . . . . 0.0 111.922 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p -160.85 -42.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.964 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -58.11 -43.52 87.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.57 -49.57 76.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.47 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HA ' HD11 ' A' ' 7' ' ' LEU . 32.7 tp -60.92 -45.95 92.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.21 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.2 -46.32 90.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.775 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 13' ' ' LEU . 42.0 tp -60.37 -45.49 93.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.02 -40.05 92.1 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.892 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.6 -46.4 69.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.809 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.64 -48.34 75.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.607 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 HD13 ' A' ' 9' ' ' LEU . 8.9 mp -86.39 40.03 0.86 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.164 0.507 . . . . 0.0 111.245 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.62 -51.72 0.01 OUTLIER Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.974 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 16.4 tp10 -62.32 -49.51 75.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.096 0.448 . . . . 0.0 111.318 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.7 25.24 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.942 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 15' ' ' GLU . 99.3 mtt180 -145.34 28.93 1.18 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 7.1 ppt_? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.237 -0.887 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.879 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 39.1 pt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.879 ' HD2' ' HB ' ' A' ' 1' ' ' ILE . 55.8 Cg_endo -71.83 54.37 2.06 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.966 1.778 . . . . 0.0 112.75 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' HG3' HG13 ' A' ' 1' ' ' ILE . 6.9 mp0 -56.87 -56.52 20.57 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.992 0.425 . . . . 0.0 112.026 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -63.44 -40.24 96.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.465 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -63.81 -50.41 69.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.804 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.7 -46.77 86.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.007 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.64 -45.22 91.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.827 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.65 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 26.8 p -68.09 -45.6 73.3 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.352 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.72 -50.51 73.55 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.48 -43.42 96.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.23 -38.08 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 8' ' ' THR . 93.9 mt -57.9 -47.54 82.5 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 13' ' ' LEU . 8.6 mp -83.72 45.85 1.11 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.993 177.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.58 -52.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.252 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -52.77 -56.93 12.08 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.251 0.548 . . . . 0.0 110.436 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.65 41.27 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.905 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -152.21 -47.35 0.1 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.471 -179.067 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.621 ' H3 ' HD12 ' A' ' 1' ' ' ILE . 3.9 mp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.5 130.39 26.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.488 2.126 . . . . 0.0 112.34 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.7 mp0 -53.57 -33.55 55.16 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.78 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -52.93 -29.12 26.83 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.228 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.663 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.6 t -61.97 -61.77 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.389 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.79 -36.55 83.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.034 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -43.7 95.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.256 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.444 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 11.5 p -67.59 -44.34 78.39 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.957 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 5' ' ' SER . 17.5 mt -62.15 -48.74 78.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.106 0.479 . . . . 0.0 110.229 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -62.16 -34.96 77.4 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.23 -49.55 64.05 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.342 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 86.2 mt -62.64 -52.53 62.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.266 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.97 42.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.828 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.23 -54.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.12 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . 43.5 mt-10 -115.24 -33.04 5.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -56.44 -48.15 77.61 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 179.243 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 2.8 ptp180 -108.37 44.17 1.15 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.055 0.455 . . . . 0.0 109.963 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' HB2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.688 -0.672 . . . . 0.0 111.914 -179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.792 HD12 ' H1 ' ' A' ' 1' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.72 59.23 2.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.291 2.66 . . . . 0.0 112.997 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.18 59.89 0.27 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 112.355 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.3 p -155.6 -61.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.828 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -73.87 -54.46 7.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.038 0.447 . . . . 0.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.034 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -60.62 -47.77 84.76 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.588 178.516 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.454 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 24.8 m -64.19 -43.46 95.01 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.93 -48.45 79.86 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -59.18 -41.73 89.15 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.097 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.55 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.809 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.2 mt -57.52 -50.92 71.49 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HG ' ' NE ' ' A' ' 17' ' ' ARG . 43.1 tp -58.94 -33.7 70.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.016 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.41 -47.32 85.59 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 86.1 tt0 -66.82 -39.91 87.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.206 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.27 -37.04 81.73 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.945 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' NE ' ' HG ' ' A' ' 13' ' ' LEU . 85.9 mtm180 -78.28 41.91 0.4 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 18.3 mmt-85 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.465 -0.778 . . . . 0.0 111.872 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 48.0 mm . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 10.6 Cg_exo -71.16 61.66 2.54 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 123.228 2.618 . . . . 0.0 113.157 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.44 51.0 0.43 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -91.85 17.25 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 0.0 111.102 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -59.72 -44.08 93.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.232 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.25 -45.43 91.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.445 0.64 . . . . 0.0 109.897 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.08 -49.64 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.798 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 40.0 p -63.26 -43.39 98.12 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.426 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.03 -49.5 77.13 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.787 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -58.97 -39.86 83.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.696 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -69.37 -51.37 37.37 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.793 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 8' ' ' THR . 91.3 mt -58.57 -47.16 85.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 110.791 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.13 38.44 0.77 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.189 0.519 . . . . 0.0 111.569 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.11 -60.04 0.01 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.254 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.03 -49.02 61.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.9 -24.85 52.49 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.506 0.67 . . . . 0.0 110.226 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -69.44 -43.91 72.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.035 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.966 -179.747 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 12.0 tt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.38 0.133 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 32.0 Cg_exo -59.28 138.14 82.87 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.528 2.152 . . . . 0.0 112.74 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -54.4 -42.53 70.55 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.109 0.48 . . . . 0.0 112.033 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -61.16 -33.51 73.55 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.465 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 t -59.64 -51.56 69.3 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -63.35 -38.86 92.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.15 -39.33 94.35 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.678 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -66.5 -38.54 87.46 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.102 0.477 . . . . 0.0 110.173 178.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.59 -42.26 74.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.686 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.21 -41.97 94.15 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 110.681 179.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.86 -49.71 49.66 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.414 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 12' ' ' LEU . 89.3 mt -58.87 -51.88 68.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.407 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 tp -96.52 46.37 1.06 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.56 -54.26 0.02 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.56 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 tp10 -72.82 -39.59 66.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.164 0.482 . . . . 0.0 111.169 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.3 3.99 4.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.699 0.762 . . . . 0.0 110.622 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 26.6 ptt85 -142.17 26.9 1.8 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.351 179.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 C--O 1.253 1.269 0 CA-C-O 118.547 -0.739 . . . . 0.0 111.79 179.574 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 2' ' ' PRO . 4.3 tp . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.524 ' HD2' HD11 ' A' ' 1' ' ' ILE . 7.4 Cg_exo -73.9 59.72 4.37 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.283 2.655 . . . . 0.0 113.434 -179.192 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.703 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.4 mt-10 -59.35 -41.79 90.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.401 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p 52.58 -86.99 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.03 0.932 . . . . 0.0 113.45 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -55.81 -46.82 77.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.612 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 3' ' ' GLU . 5.2 mm-40 -58.58 -43.86 89.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.14 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.703 ' HG ' ' HB2' ' A' ' 3' ' ' GLU . 96.6 mt -64.17 -44.67 91.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.5 m -65.36 -45.68 83.18 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 13' ' ' LEU . 31.3 tp -56.38 -45.53 80.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.051 179.274 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.64 -41.83 86.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.24 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.34 -49.24 28.4 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.113 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -59.67 -47.73 84.46 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 111.524 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 9' ' ' LEU . 9.6 mp -94.62 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.421 0.629 . . . . 0.0 111.459 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -94.72 0.1 Allowed Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.304 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.523 0.201 . . . . 0.0 111.456 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -85.68 -30.68 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.952 178.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.3 ttp180 -69.12 -51.86 34.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.232 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.02 -0.99 . . . . 0.0 112.606 178.636 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 2' ' ' PRO . 43.8 mm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 1' ' ' ILE . 41.1 Cg_endo -68.77 54.29 0.83 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.816 2.344 . . . . 0.0 112.758 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' OE2' ' HB ' ' A' ' 1' ' ' ILE . 7.1 mt-10 -68.34 -3.92 12.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.324 -179.421 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.8 p -55.19 -36.01 65.45 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 111.197 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -63.89 -44.2 93.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 178.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.29 -45.94 78.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.35 -44.82 95.19 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.871 179.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -65.06 -42.83 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.665 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.95 -46.32 85.19 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 177.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.05 -46.11 85.93 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.22 179.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.93 -45.44 89.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.472 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 11.4 tp -59.71 -49.38 77.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.216 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 17' ' ' ARG . 50.5 tp -66.29 -43.45 86.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.37 -59.85 3.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 -177.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 38.3 tt0 -92.82 -48.32 6.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 12' ' ' LEU . 82.8 tt0 -63.2 -47.31 83.1 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.472 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.62 ' HD3' HD13 ' A' ' 13' ' ' LEU . 3.3 ttt-85 -86.54 -55.05 4.06 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 45.5 mtm-85 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.52 -179.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 119.192 -0.432 . . . . 4.9699999999999998 110.051 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -16.46 76.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.809 1 C-N-CA 126.016 4.477 . . . . 4.2000000000000002 116.013 -179.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -69.23 -16.56 63.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.283 -0.872 . . . . 4.1600000000000001 111.128 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -48.25 -47.32 36.11 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.674 -0.694 . . . . 1.8700000000000001 112.635 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -65.7 -44.64 85.53 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.775 0.287 . . . . 1.8999999999999999 111.775 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.41 -44.65 82.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.681 0.277 . . . . 3.1800000000000002 110.751 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 3.02 111.111 179.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.6 p -68.54 -45.26 72.65 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.608 -0.437 . . . . 1.8700000000000001 110.465 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 13' ' ' LEU . 46.0 tp -60.17 -49.97 75.52 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.435 -0.348 . . . . 2.3900000000000001 110.941 178.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.37 -40.07 89.47 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.869 0.366 . . . . 3.79 110.838 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.27 -46.98 81.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.12 -0.491 . . . . 2.6499999999999999 111.162 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.2 mt -60.15 -48.22 82.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.996 0.426 . . . . 2.1099999999999999 110.294 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 8.3 mp -84.05 41.36 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.347 0.594 . . . . 2.71 111.848 179.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.65 -51.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.462 -0.79 . . . . 0.95999999999999996 112.002 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 20.3 tp10 -75.2 -50.18 17.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.896 0.379 . . . . 3.5099999999999998 111.052 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.79 -40.93 60.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.078 0.466 . . . . 3.6099999999999999 110.22 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 71.4 mtt-85 -84.22 44.94 1.06 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 112.819 0.674 . . . . 5.5599999999999996 112.819 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 70.1 mtt180 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.546 -0.74 . . . . 4.8600000000000003 112.161 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -64.42 -47.55 78.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.664 0.269 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -61.72 -40.8 96.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.444 0.64 . . . . 0.0 109.481 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.25 -47.65 78.79 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.697 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 14.9 p -66.4 -42.31 88.05 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.609 0.242 . . . . 0.0 111.208 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.02 -50.06 75.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.417 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -63.66 -36.87 85.25 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.41 -50.45 69.79 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.941 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.8 mt -60.94 -51.22 70.2 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.893 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.51 32.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.491 0.662 . . . . 0.0 111.336 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' LEU . . . -128.27 -59.4 0.12 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.18 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.11 -37.89 32.72 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.676 -0.308 . . . . 0.0 111.532 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.31 -42.37 99.31 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.278 0.561 . . . . 0.0 110.58 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.949 179.044 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 120.898 0.38 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -65.53 -56.28 13.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.644 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -34.36 76.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.823 0.344 . . . . 0.0 110.505 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.97 -47.0 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.002 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -70.26 -38.39 75.12 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.877 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.54 -47.79 83.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -62.27 -38.64 90.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.59 -49.75 72.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.111 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.04 -52.32 59.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.907 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.03 37.43 0.76 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.408 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.08 -55.97 0.03 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.512 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -89.49 -50.27 6.2 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.093 0.447 . . . . 0.0 111.673 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.95 -38.79 92.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.186 0.517 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 . . . . . 0 CA--C 1.533 0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.841 178.814 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -73.84 -48.49 30.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.956 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.32 -44.52 97.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.441 0.639 . . . . 0.0 109.832 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.03 -47.68 83.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.562 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 p -66.74 -43.73 83.4 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.936 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.63 -46.33 84.27 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.486 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.16 -38.52 89.34 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.588 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.01 -46.12 79.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 8' ' ' THR . 75.6 mt -60.93 -59.72 4.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.94 42.45 1.06 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.697 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.21 -53.65 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.429 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 2.7 mm-40 -108.26 -42.6 4.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.52 -52.91 33.35 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.642 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -61.96 -53.6 53.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 111.86 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.01 -36.04 82.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -67.23 -49.28 65.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.22 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -63.65 -38.72 92.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.81 -47.81 83.48 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.005 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.83 -38.8 89.85 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.773 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -65.02 -52.2 57.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.509 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.49 -56.74 17.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.962 0.411 . . . . 0.0 110.029 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.62 42.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.396 0.617 . . . . 0.0 110.692 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.47 -58.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -111.54 -42.54 3.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.235 0.517 . . . . 0.0 112.11 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.03 -55.54 24.73 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.215 178.48 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 8' ' ' THR . 79.1 p . . . . . 0 N--CA 1.465 0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.3 t -60.27 -49.31 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -56.15 -42.98 77.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.928 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.82 -41.46 97.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.76 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 81.6 p -61.96 -46.48 89.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.489 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 5' ' ' SER . 7.6 mt -64.92 -46.49 81.45 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -58.22 -41.33 83.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.877 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.71 -48.29 75.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.226 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.9 mt -61.42 -50.46 72.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.808 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.18 -45.31 87.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.691 0.282 . . . . 0.0 110.782 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.86 62.96 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.098 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 3.8 mm-40 -63.51 -39.17 93.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.584 0.231 . . . . 0.0 111.556 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -37.95 82.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.658 0.266 . . . . 0.0 111.123 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -66.13 -55.04 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.0 -44.46 94.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.336 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.14 -45.31 93.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.448 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 20.8 p -70.37 -46.7 63.55 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.288 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD12 HD13 ' A' ' 13' ' ' LEU . 41.8 tp -58.72 -47.55 84.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.236 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -61.39 -41.22 96.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.3 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.0 -48.47 71.08 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.391 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.6 mt -61.08 -50.62 72.51 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.622 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.424 HD13 HD12 ' A' ' 9' ' ' LEU . 9.4 mp -85.97 39.3 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.181 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.82 -57.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.97 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -39.35 89.35 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.983 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.31 -5.74 41.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.516 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.509 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -72.11 -47.65 49.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.852 0.358 . . . . 0.0 110.441 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.1 -42.13 99.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.298 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.28 -45.03 96.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.229 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -71.79 -44.28 64.24 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.209 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.01 -46.55 90.3 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.407 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -59.25 -42.87 92.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.63 -43.37 66.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -53.84 -50.17 66.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.818 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -91.3 46.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.329 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.14 -54.01 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.401 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.6 tp10 -73.73 -35.62 65.09 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.08 0.44 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -72.02 -40.93 68.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.146 0.498 . . . . 0.0 109.961 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 14.4 mmp_? . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -65.94 -38.39 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.251 0.548 . . . . 0.0 109.946 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.04 -46.87 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.94 -41.93 70.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -64.89 -42.36 94.84 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 10' ' ' GLN . 4.4 pp -63.92 -35.23 79.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.023 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 9' ' ' LEU . 51.5 tt0 -65.46 -40.12 92.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.59 -46.59 82.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.209 0.528 . . . . 0.0 110.099 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.71 -56.65 12.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.902 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 6.7 mp -89.15 41.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.274 0.559 . . . . 0.0 111.485 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.15 -53.41 0.03 OUTLIER Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.207 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -105.23 -47.82 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 0.0 110.553 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -67.6 -55.76 12.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.923 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 31.6 ttm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.579 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -60.2 -43.83 95.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -59.22 -44.92 92.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -63.03 -47.12 84.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.935 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.648 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.5 p -66.36 -48.36 70.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.158 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.31 -45.88 83.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -56.74 -40.12 75.19 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -73.53 -45.64 52.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.995 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 8' ' ' THR . 71.6 mt -59.65 -53.24 60.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.83 48.33 1.01 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.22 0.533 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -43.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -108.65 -48.48 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.393 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.61 -42.59 91.4 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 17' ' ' ARG . 29.5 mtt85 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -74.6 -48.31 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.84 -44.54 96.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.656 0.265 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.26 -44.73 90.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.398 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 21.6 p -66.84 -40.93 88.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.904 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.52 -46.5 88.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.126 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -60.35 -45.07 94.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.35 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.35 -49.18 76.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.216 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 8' ' ' THR . 97.4 mt -60.61 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.773 ' HA ' HH21 ' A' ' 17' ' ' ARG . 36.1 tp -57.38 -45.89 83.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.31 -43.85 44.95 Favored Glycine 0 CA--C 1.521 0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 113.708 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -40.79 94.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.204 0.502 . . . . 0.0 111.282 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.71 -42.55 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.773 HH21 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mtm-85 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.916 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.1 -48.17 77.16 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.19 -43.73 82.97 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.748 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.438 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 p -70.45 -44.67 67.32 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.833 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 33.1 tp -60.42 -47.1 87.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.282 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -56.16 -43.87 78.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.48 -45.2 95.24 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.3 mt -60.49 -44.64 95.73 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.776 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 98.1 mt -62.52 -42.72 99.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -44.45 97.61 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.96 -36.26 83.83 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 109.52 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -68.62 -51.31 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.59 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.179 -179.881 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 p . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -65.71 -44.56 85.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -61.09 -40.09 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 109.895 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 tp -71.51 -48.67 47.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.3 p -63.39 -50.14 71.05 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.63 -46.15 89.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.412 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.63 -42.2 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.88 -39.77 94.96 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.592 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 8' ' ' THR . 87.4 mt -54.59 -32.83 59.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.84 31.79 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 0.0 110.452 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.2 -102.36 1.7 Allowed Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -73.64 -33.71 64.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.493 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.85 -22.59 66.99 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.465 0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -64.63 -41.51 96.12 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -55.27 -39.63 70.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.559 0.695 . . . . 0.0 110.626 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 26.6 tp -63.89 -43.78 94.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.079 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 34.4 p -49.69 -46.11 49.62 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.24 -51.1 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 0.0 111.598 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -62.11 -38.93 90.74 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.377 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 55.6 mt-10 -63.35 -46.51 86.24 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.712 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -57.03 -44.62 83.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.975 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.457 ' HA ' HH11 ' A' ' 17' ' ' ARG . 7.1 mp -90.44 41.95 1.08 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.398 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -54.65 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.47 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -70.75 -47.37 59.98 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.22 -32.82 72.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.457 HH11 ' HA ' ' A' ' 13' ' ' LEU . 65.8 mtt85 . . . . . 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.118 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -63.13 -45.22 93.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.544 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 7' ' ' LEU . 4.1 mm? -67.57 -42.63 82.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.61 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.3 p -66.83 -43.56 83.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.816 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 52.8 tp -61.23 -47.11 87.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.629 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -58.41 -40.71 83.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.173 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.44 -46.16 81.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.279 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 96.0 mt -58.78 -49.21 78.5 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.221 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 87.6 mt -59.39 -40.44 86.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.11 97.73 Favored Glycine 0 C--O 1.224 -0.476 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.216 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.99 -41.31 64.44 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 0.0 111.426 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -78.0 -37.14 47.79 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.017 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -56.64 -38.38 72.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.55 -49.64 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 109.291 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.63 -44.51 93.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.461 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.503 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 45.9 p -63.74 -43.14 97.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.305 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.46 -47.84 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.001 0.429 . . . . 0.0 110.206 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.67 -40.36 87.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.96 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.04 -46.56 83.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.715 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.6 mt -59.99 -47.38 86.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.329 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.5 mt -63.48 -39.62 94.94 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.29 94.28 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.435 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.11 -42.17 94.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.907 0.353 . . . . 0.0 110.134 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.93 -43.12 99.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.863 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -58.11 -43.52 87.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.57 -49.57 76.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.47 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.92 -45.95 92.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.2 -46.32 90.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.775 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.37 -45.49 93.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.02 -40.05 92.1 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.892 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.6 -46.4 69.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.809 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.64 -48.34 75.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.607 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.39 40.03 0.86 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.164 0.507 . . . . 0.0 111.245 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.62 -51.72 0.01 OUTLIER Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.974 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.32 -49.51 75.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.096 0.448 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.7 25.24 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.942 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 CA--C 1.532 0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 179.633 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -63.81 -50.41 69.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.804 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.7 -46.77 86.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.007 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.64 -45.22 91.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.827 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 26.8 p -68.09 -45.6 73.3 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.352 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.72 -50.51 73.55 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.48 -43.42 96.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.23 -38.08 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 8' ' ' THR . 93.9 mt -57.9 -47.54 82.5 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.72 45.85 1.11 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.993 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.58 -52.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.252 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -52.77 -56.93 12.08 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.251 0.548 . . . . 0.0 110.436 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.65 41.27 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.905 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.195 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.6 t -61.97 -61.77 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.389 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.79 -36.55 83.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.034 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -43.7 95.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.256 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 11.5 p -67.59 -44.34 78.39 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.957 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 5' ' ' SER . 17.5 mt -62.15 -48.74 78.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.106 0.479 . . . . 0.0 110.229 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.16 -34.96 77.4 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.23 -49.55 64.05 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.342 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 86.2 mt -62.64 -52.53 62.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.266 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.97 42.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.828 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.23 -54.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.12 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.24 -33.04 5.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -56.44 -48.15 77.61 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 179.243 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 2.8 ptp180 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 121.055 0.455 . . . . 0.0 109.963 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.3 p . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -73.87 -54.46 7.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.038 0.447 . . . . 0.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.034 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.77 84.76 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.588 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 24.8 m -64.19 -43.46 95.01 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.93 -48.45 79.86 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -59.18 -41.73 89.15 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.097 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.55 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.809 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.2 mt -57.52 -50.92 71.49 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HG ' ' NE ' ' A' ' 17' ' ' ARG . 43.1 tp -58.94 -33.7 70.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.016 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.41 -47.32 85.59 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.82 -39.91 87.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.206 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.27 -37.04 81.73 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.945 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' NE ' ' HG ' ' A' ' 13' ' ' LEU . 85.9 mtm180 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.769 0.318 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -59.72 -44.08 93.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.232 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.25 -45.43 91.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.445 0.64 . . . . 0.0 109.897 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.08 -49.64 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.798 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 40.0 p -63.26 -43.39 98.12 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.426 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.03 -49.5 77.13 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.787 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -58.97 -39.86 83.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.696 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -69.37 -51.37 37.37 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.793 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 8' ' ' THR . 91.3 mt -58.57 -47.16 85.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 110.791 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.13 38.44 0.77 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.189 0.519 . . . . 0.0 111.569 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.11 -60.04 0.01 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.254 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.03 -49.02 61.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.9 -24.85 52.49 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.506 0.67 . . . . 0.0 110.226 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 . . . . . 0 CA--C 1.537 0.476 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.035 179.892 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 t -59.64 -51.56 69.3 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -63.35 -38.86 92.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.15 -39.33 94.35 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.678 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -66.5 -38.54 87.46 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.102 0.477 . . . . 0.0 110.173 178.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.59 -42.26 74.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.686 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.21 -41.97 94.15 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 110.681 179.571 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.86 -49.71 49.66 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.414 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.87 -51.88 68.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.407 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 tp -96.52 46.37 1.06 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.56 -54.26 0.02 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.56 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 tp10 -72.82 -39.59 66.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.164 0.482 . . . . 0.0 111.169 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.3 3.99 4.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.699 0.762 . . . . 0.0 110.622 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 26.6 ptt85 . . . . . 0 CA--C 1.54 0.586 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.351 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -55.81 -46.82 77.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.612 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.58 -43.86 89.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.14 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.17 -44.67 91.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.086 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.5 m -65.36 -45.68 83.18 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 13' ' ' LEU . 31.3 tp -56.38 -45.53 80.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.051 179.274 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.64 -41.83 86.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.24 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.34 -49.24 28.4 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.113 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -59.67 -47.73 84.46 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 111.524 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.639 HD13 HD12 ' A' ' 9' ' ' LEU . 9.6 mp -94.62 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.421 0.629 . . . . 0.0 111.459 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -94.72 0.1 Allowed Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.304 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.523 0.201 . . . . 0.0 111.456 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 35.7 mm-40 -85.68 -30.68 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.3 ttp180 . . . . . 0 CA--C 1.531 0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.232 179.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.8 p . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -63.89 -44.2 93.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 178.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.29 -45.94 78.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.35 -44.82 95.19 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.871 179.391 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -65.06 -42.83 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.665 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.95 -46.32 85.19 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 177.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.05 -46.11 85.93 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.22 179.342 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.93 -45.44 89.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.472 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 11.4 tp -59.71 -49.38 77.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.216 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.688 HD12 ' HD3' ' A' ' 17' ' ' ARG . 50.5 tp -66.29 -43.45 86.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.37 -59.85 3.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 -177.3 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.82 -48.32 6.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 12' ' ' LEU . 82.8 tt0 -63.2 -47.31 83.1 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.472 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HD3' HD12 ' A' ' 13' ' ' LEU . 3.3 ttt-85 . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.635 0.606 . . . . 1.52 112.635 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -65.7 -44.64 85.53 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.775 0.287 . . . . 1.53 111.775 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.41 -44.65 82.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.681 0.277 . . . . 3.18 110.751 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 2.51 111.111 179.342 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.6 p -68.54 -45.26 72.65 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.608 -0.437 . . . . 1.36 110.465 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.17 -49.97 75.52 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.435 -0.348 . . . . 1.95 110.941 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.37 -40.07 89.47 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.869 0.366 . . . . 3.14 110.838 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.27 -46.98 81.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.12 -0.491 . . . . 2.65 111.162 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.2 mt -60.15 -48.22 82.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.996 0.426 . . . . 1.67 110.294 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 8.3 mp -84.05 41.36 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.347 0.594 . . . . 2.14 111.848 179.041 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.65 -51.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.462 -0.79 . . . . 0.85 112.002 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -75.2 -50.18 17.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.896 0.379 . . . . 3.51 111.052 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.79 -40.93 60.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.078 0.466 . . . . 3.61 110.22 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 71.4 mtt-85 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 112.819 0.674 . . . . 4.84 112.819 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.579 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 1.1 pp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.697 0.284 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.68 44.73 1.71 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.803 2.335 . . . . 0.0 113.143 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.579 ' HG2' ' HB ' ' A' ' 1' ' ' ILE . 32.3 mm-40 -78.13 -23.35 47.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 p 69.4 -39.16 0.42 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.205 1.002 . . . . 0.0 111.901 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -64.42 -47.55 78.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.664 0.269 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -61.72 -40.8 96.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.444 0.64 . . . . 0.0 109.481 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.25 -47.65 78.79 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.697 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 14.9 p -66.4 -42.31 88.05 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.609 0.242 . . . . 0.0 111.208 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.02 -50.06 75.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.417 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -63.66 -36.87 85.25 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.41 -50.45 69.79 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.941 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.8 mt -60.94 -51.22 70.2 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.893 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.51 32.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.491 0.662 . . . . 0.0 111.336 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' LEU . . . -128.27 -59.4 0.12 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.18 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.11 -37.89 32.72 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.676 -0.308 . . . . 0.0 111.532 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.31 -42.37 99.31 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.278 0.561 . . . . 0.0 110.58 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -106.88 40.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.949 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HD3' ' OXT' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.936 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 7.3 tt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.688 ' HB2' ' HB3' ' A' ' 5' ' ' SER . 2.6 Cg_endo -80.63 106.94 1.9 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.651 2.234 . . . . 0.0 112.424 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -58.09 -45.81 86.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.777 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p -59.81 -38.6 82.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.322 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.688 ' HB3' ' HB2' ' A' ' 2' ' ' PRO . 4.5 t -65.53 -56.28 13.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.644 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 0.3 OUTLIER -62.26 -34.36 76.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.823 0.344 . . . . 0.0 110.505 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.97 -47.0 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.002 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -70.26 -38.39 75.12 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.877 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.54 -47.79 83.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -62.27 -38.64 90.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.59 -49.75 72.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.111 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.04 -52.32 59.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.907 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.03 37.43 0.76 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.408 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.08 -55.97 0.03 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.512 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -89.49 -50.27 6.2 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.093 0.447 . . . . 0.0 111.673 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.95 -38.79 92.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.186 0.517 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -102.02 37.63 1.82 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.841 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 tpm_? . . . . . 0 C--O 1.257 1.49 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.738 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 3' ' ' GLU . 8.1 tt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.615 0.245 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 11.6 Cg_exo -71.68 66.82 3.04 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.211 2.608 . . . . 0.0 113.262 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.58 ' HG3' HG23 ' A' ' 1' ' ' ILE . 46.2 mt-10 -69.91 55.37 0.13 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -168.63 -54.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.981 0.42 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -73.84 -48.49 30.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.956 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.32 -44.52 97.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.441 0.639 . . . . 0.0 109.832 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 3' ' ' GLU . 10.9 mp -62.03 -47.68 83.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.562 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 p -66.74 -43.73 83.4 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.936 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.63 -46.33 84.27 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.486 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.16 -38.52 89.34 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.588 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.01 -46.12 79.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 8' ' ' THR . 75.6 mt -60.93 -59.72 4.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.94 42.45 1.06 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.697 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.21 -53.65 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.429 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 2.7 mm-40 -108.26 -42.6 4.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.52 -52.91 33.35 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.03 70.57 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.642 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.443 179.038 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.12 129.88 13.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.26 1.974 . . . . 0.0 112.449 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 1.038 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 54.9 mm-40 -59.74 -38.1 80.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.463 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p 54.39 -89.82 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.546 0.738 . . . . 0.0 112.201 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -61.96 -53.6 53.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 111.86 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.01 -36.04 82.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.038 ' HB2' ' HB2' ' A' ' 3' ' ' GLU . 36.5 tp -67.23 -49.28 65.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.22 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -63.65 -38.72 92.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.81 -47.81 83.48 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.005 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.83 -38.8 89.85 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.773 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -65.02 -52.2 57.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.509 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.49 -56.74 17.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.962 0.411 . . . . 0.0 110.029 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.62 42.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.396 0.617 . . . . 0.0 110.692 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.47 -58.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 78.3 tt0 -111.54 -42.54 3.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.235 0.517 . . . . 0.0 112.11 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.03 -55.54 24.73 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 25.7 ttt-85 -75.87 -36.01 59.7 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.215 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.677 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.9 mmp_? . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.708 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.0 mt . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.44 57.53 3.55 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.794 2.329 . . . . 0.0 112.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 18.2 mt-10 -72.12 49.74 0.2 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 8' ' ' THR . 79.1 p -65.96 -46.35 78.43 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.3 t -60.27 -49.31 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 3' ' ' GLU . 12.4 mp0 -56.15 -42.98 77.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.928 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.82 -41.46 97.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.76 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 81.6 p -61.96 -46.48 89.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.489 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 5' ' ' SER . 7.6 mt -64.92 -46.49 81.45 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -58.22 -41.33 83.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.877 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.71 -48.29 75.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.226 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.9 mt -61.42 -50.46 72.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.808 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.18 -45.31 87.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.691 0.282 . . . . 0.0 110.782 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.86 62.96 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.098 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' CD ' HH21 ' A' ' 18' ' ' ARG . 3.8 mm-40 -63.51 -39.17 93.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.584 0.231 . . . . 0.0 111.556 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -37.95 82.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.658 0.266 . . . . 0.0 111.123 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -78.2 -66.87 0.79 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' A' ' 15' ' ' GLU . 99.7 mtt180 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.588 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.367 0.127 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.87 119.39 6.39 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.243 1.962 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.48 -15.37 49.57 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -51.25 -35.35 36.76 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.861 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -66.13 -55.04 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.0 -44.46 94.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.336 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.14 -45.31 93.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.448 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 20.8 p -70.37 -46.7 63.55 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.288 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD12 HD13 ' A' ' 13' ' ' LEU . 41.8 tp -58.72 -47.55 84.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.236 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -61.39 -41.22 96.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.3 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.0 -48.47 71.08 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.391 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.6 mt -61.08 -50.62 72.51 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.622 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 HD13 HD12 ' A' ' 9' ' ' LEU . 9.4 mp -85.97 39.3 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.181 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.82 -57.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.97 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 39.4 tt0 -66.28 -39.35 89.35 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.983 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.31 -5.74 41.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.516 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -131.56 44.15 2.97 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HE ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.341 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.152 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.85 109.44 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.11 1.873 . . . . 0.0 113.203 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -62.56 -34.7 77.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.758 0.313 . . . . 0.0 111.674 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.7 p -75.23 39.04 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -72.11 -47.65 49.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.852 0.358 . . . . 0.0 110.441 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.1 -42.13 99.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.298 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.28 -45.03 96.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.229 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -71.79 -44.28 64.24 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.209 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.01 -46.55 90.3 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.407 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -59.25 -42.87 92.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.63 -43.37 66.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -53.84 -50.17 66.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.818 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -91.3 46.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.329 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.14 -54.01 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.401 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 4.6 tp10 -73.73 -35.62 65.09 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.08 0.44 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -72.02 -40.93 68.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.146 0.498 . . . . 0.0 109.961 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 14.4 mmp_? -85.65 48.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 49.1 mmm-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.317 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.437 HG13 ' HD2' ' A' ' 2' ' ' PRO . 10.4 tt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.5 0.19 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 1' ' ' ILE . 37.3 Cg_endo -69.39 123.15 9.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.107 1.871 . . . . 0.0 112.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.78 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.316 0.579 . . . . 0.0 111.185 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 p -160.3 -52.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.083 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -65.94 -38.39 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.251 0.548 . . . . 0.0 109.946 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.04 -46.87 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.94 -41.93 70.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -64.89 -42.36 94.84 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 10' ' ' GLN . 4.4 pp -63.92 -35.23 79.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.023 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 9' ' ' LEU . 51.5 tt0 -65.46 -40.12 92.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.59 -46.59 82.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.209 0.528 . . . . 0.0 110.099 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.71 -56.65 12.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.902 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 6.7 mp -89.15 41.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.274 0.559 . . . . 0.0 111.485 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -145.15 -53.41 0.03 OUTLIER Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.207 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -105.23 -47.82 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 0.0 110.553 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -67.6 -55.76 12.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.923 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 31.6 ttm180 -99.23 57.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.579 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 16.5 ptm180 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.298 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 37.7 pt . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 120.516 0.198 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 17.2 Cg_exo -67.1 121.78 9.0 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.644 2.229 . . . . 0.0 112.613 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.74 52.07 0.4 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 p -172.25 -52.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -60.2 -43.83 95.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -59.22 -44.92 92.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -63.03 -47.12 84.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.935 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.648 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.5 p -66.36 -48.36 70.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.158 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.31 -45.88 83.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -56.74 -40.12 75.19 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -73.53 -45.64 52.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.995 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 8' ' ' THR . 71.6 mt -59.65 -53.24 60.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.83 48.33 1.01 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.22 0.533 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -43.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -108.65 -48.48 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.393 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.61 -42.59 91.4 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 17' ' ' ARG . 29.5 mtt85 -104.18 -52.11 2.99 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.385 -177.846 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.485 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 53.5 mt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 8.0 Cg_exo -72.49 57.99 3.02 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.131 2.554 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.56 -52.69 16.79 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.115 0.566 . . . . 0.0 112.498 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -54.99 -43.51 73.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -74.6 -48.31 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.84 -44.54 96.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.656 0.265 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.26 -44.73 90.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.398 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 21.6 p -66.84 -40.93 88.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.904 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.52 -46.5 88.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.126 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -60.35 -45.07 94.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.35 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.35 -49.18 76.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.216 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 8' ' ' THR . 97.4 mt -60.61 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.773 ' HA ' HH21 ' A' ' 17' ' ' ARG . 36.1 tp -57.38 -45.89 83.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.31 -43.85 44.95 Favored Glycine 0 CA--C 1.521 0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 113.708 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' CD ' HH21 ' A' ' 18' ' ' ARG . 4.7 tp10 -65.29 -40.79 94.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.204 0.502 . . . . 0.0 111.282 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.71 -42.55 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.773 HH21 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mtm-85 -110.86 59.47 0.61 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 HH21 ' CD ' ' A' ' 15' ' ' GLU . 37.4 mmt180 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.794 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.564 HG13 ' HD2' ' A' ' 2' ' ' PRO . 17.6 tt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.428 0.156 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 1' ' ' ILE . 56.0 Cg_endo -70.23 44.0 0.44 Allowed 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.902 2.401 . . . . 0.0 114.366 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 1' ' ' ILE . 43.7 mt-10 -85.19 84.65 7.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.816 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -51.1 -41.6 60.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.916 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.1 -48.17 77.16 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.19 -43.73 82.97 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.748 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.438 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 p -70.45 -44.67 67.32 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.833 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 33.1 tp -60.42 -47.1 87.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.282 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -56.16 -43.87 78.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.48 -45.2 95.24 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.3 mt -60.49 -44.64 95.73 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.776 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 98.1 mt -62.52 -42.72 99.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -44.45 97.61 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 35.7 tt0 -64.96 -36.26 83.83 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 109.52 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -68.62 -51.31 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.59 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -88.81 55.73 3.47 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.179 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 2.9 mmm180 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.375 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.781 HD12 ' HD2' ' A' ' 2' ' ' PRO . 6.0 tp . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.954 0.407 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.781 ' HD2' HD12 ' A' ' 1' ' ' ILE . 60.9 Cg_endo -73.33 55.42 3.03 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.035 2.49 . . . . 0.0 114.249 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' HG3' HG13 ' A' ' 1' ' ' ILE . 54.3 mt-10 -75.22 49.01 0.44 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.062 0.458 . . . . 0.0 111.621 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 p -75.49 -43.08 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.574 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -65.71 -44.56 85.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 3' ' ' GLU . 6.8 mp0 -61.09 -40.09 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 109.895 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 tp -71.51 -48.67 47.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.3 p -63.39 -50.14 71.05 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.63 -46.15 89.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.412 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.63 -42.2 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.88 -39.77 94.96 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.592 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 8' ' ' THR . 87.4 mt -54.59 -32.83 59.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.84 31.79 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 0.0 110.452 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.2 -102.36 1.7 Allowed Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 18.3 tp10 -73.64 -33.71 64.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.493 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.85 -22.59 66.99 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -133.64 46.12 2.59 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.289 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.913 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 38.4 pt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.913 ' HD2' ' HB ' ' A' ' 1' ' ' ILE . 42.9 Cg_endo -68.47 51.87 0.62 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.427 2.085 . . . . 0.0 113.21 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.661 ' HG3' HG13 ' A' ' 1' ' ' ILE . 1.6 mt-10 -57.11 -51.07 70.76 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.164 0.586 . . . . 0.0 112.125 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p -68.73 -41.13 79.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -64.63 -41.51 96.12 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -55.27 -39.63 70.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.559 0.695 . . . . 0.0 110.626 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 26.6 tp -63.89 -43.78 94.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.079 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 34.4 p -49.69 -46.11 49.62 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.24 -51.1 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 0.0 111.598 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -62.11 -38.93 90.74 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.377 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 55.6 mt-10 -63.35 -46.51 86.24 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.712 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -57.03 -44.62 83.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.975 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' HA ' HH11 ' A' ' 17' ' ' ARG . 7.1 mp -90.44 41.95 1.08 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.398 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -54.65 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.47 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 62.1 mm-40 -70.75 -47.37 59.98 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.22 -32.82 72.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 HH11 ' HA ' ' A' ' 13' ' ' LEU . 65.8 mtt85 -79.71 -47.63 15.01 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.118 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 10.6 mmp_? . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.341 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.265 0.079 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.62 135.01 37.29 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.821 2.348 . . . . 0.0 113.209 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -72.63 50.59 0.25 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.5 p -66.03 -30.38 70.91 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -63.13 -45.22 93.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.544 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 7' ' ' LEU . 4.1 mm? -67.57 -42.63 82.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.61 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.3 p -66.83 -43.56 83.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.816 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 52.8 tp -61.23 -47.11 87.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.629 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -58.41 -40.71 83.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.173 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.44 -46.16 81.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.279 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 96.0 mt -58.78 -49.21 78.5 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.221 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 87.6 mt -59.39 -40.44 86.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -64.17 -40.11 97.73 Favored Glycine 0 C--O 1.224 -0.476 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.216 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 16.9 tp10 -72.99 -41.31 64.44 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 0.0 111.426 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -78.0 -37.14 47.79 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -122.44 56.11 1.13 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 7.2 ptp180 . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.865 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.733 ' HB ' ' CD ' ' A' ' 2' ' ' PRO . 39.4 pt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.733 ' CD ' ' HB ' ' A' ' 1' ' ' ILE . 22.0 Cg_exo -66.82 53.36 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 122.442 2.095 . . . . 0.0 113.839 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HG13 ' A' ' 1' ' ' ILE . 2.4 mt-10 -76.31 52.37 0.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.993 0.517 . . . . 0.0 111.641 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.7 p -64.77 -37.8 88.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -56.64 -38.38 72.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.55 -49.64 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 109.291 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.63 -44.51 93.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.461 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.503 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 45.9 p -63.74 -43.14 97.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.305 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.46 -47.84 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.001 0.429 . . . . 0.0 110.206 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.67 -40.36 87.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.96 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.04 -46.56 83.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.715 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.6 mt -59.99 -47.38 86.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.329 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.5 mt -63.48 -39.62 94.94 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.29 94.28 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.435 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.11 -42.17 94.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.907 0.353 . . . . 0.0 110.134 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.93 -43.12 99.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -101.26 52.24 0.84 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.987 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 9.3 tt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.507 0.194 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 14.3 Cg_exo -70.15 73.51 1.55 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.122 2.548 . . . . 0.0 113.129 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' HG3' HG23 ' A' ' 1' ' ' ILE . 89.3 mt-10 -70.29 55.99 0.15 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.216 0.531 . . . . 0.0 111.922 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p -160.85 -42.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.964 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -58.11 -43.52 87.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.57 -49.57 76.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.47 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.92 -45.95 92.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.2 -46.32 90.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.775 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.37 -45.49 93.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.02 -40.05 92.1 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.892 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.6 -46.4 69.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.809 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.64 -48.34 75.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.607 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.39 40.03 0.86 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.164 0.507 . . . . 0.0 111.245 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.62 -51.72 0.01 OUTLIER Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.974 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 16.4 tp10 -62.32 -49.51 75.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.096 0.448 . . . . 0.0 111.318 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.7 25.24 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.942 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -145.34 28.93 1.18 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 7.1 ppt_? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.237 -0.887 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.913 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 39.1 pt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.913 ' HD2' ' HB ' ' A' ' 1' ' ' ILE . 55.8 Cg_endo -71.83 54.37 2.06 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.966 1.778 . . . . 0.0 112.75 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HG3' HG13 ' A' ' 1' ' ' ILE . 6.9 mp0 -56.87 -56.52 20.57 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.992 0.425 . . . . 0.0 112.026 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -63.44 -40.24 96.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.465 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -63.81 -50.41 69.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.804 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.7 -46.77 86.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.007 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.64 -45.22 91.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.827 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 26.8 p -68.09 -45.6 73.3 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.352 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.72 -50.51 73.55 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.48 -43.42 96.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.23 -38.08 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 8' ' ' THR . 93.9 mt -57.9 -47.54 82.5 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.72 45.85 1.11 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.993 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.58 -52.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.252 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -52.77 -56.93 12.08 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.251 0.548 . . . . 0.0 110.436 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.65 41.27 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.905 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -152.21 -47.35 0.1 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.471 -179.067 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 1' ' ' ILE . 3.9 mp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.5 130.39 26.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.488 2.126 . . . . 0.0 112.34 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.7 mp0 -53.57 -33.55 55.16 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.78 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -52.93 -29.12 26.83 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.228 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.6 t -61.97 -61.77 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.389 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.79 -36.55 83.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.034 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -43.7 95.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.256 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 11.5 p -67.59 -44.34 78.39 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.957 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 5' ' ' SER . 17.5 mt -62.15 -48.74 78.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.106 0.479 . . . . 0.0 110.229 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.16 -34.96 77.4 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.23 -49.55 64.05 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.342 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 86.2 mt -62.64 -52.53 62.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.266 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.97 42.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.828 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.23 -54.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.12 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . 43.5 mt-10 -115.24 -33.04 5.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -56.44 -48.15 77.61 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 179.243 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 2.8 ptp180 -108.37 44.17 1.15 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.055 0.455 . . . . 0.0 109.963 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.688 -0.672 . . . . 0.0 111.914 -179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 1' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.72 59.23 2.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.291 2.66 . . . . 0.0 112.997 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.18 59.89 0.27 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 112.355 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.3 p -155.6 -61.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.828 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -73.87 -54.46 7.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.038 0.447 . . . . 0.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.034 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.77 84.76 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.588 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 24.8 m -64.19 -43.46 95.01 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.93 -48.45 79.86 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -59.18 -41.73 89.15 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.097 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.55 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.809 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.2 mt -57.52 -50.92 71.49 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HG ' ' NE ' ' A' ' 17' ' ' ARG . 43.1 tp -58.94 -33.7 70.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.016 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.41 -47.32 85.59 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 86.1 tt0 -66.82 -39.91 87.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.206 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.27 -37.04 81.73 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.945 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' NE ' ' HG ' ' A' ' 13' ' ' LEU . 85.9 mtm180 -78.28 41.91 0.4 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 18.3 mmt-85 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.465 -0.778 . . . . 0.0 111.872 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 48.0 mm . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 10.6 Cg_exo -71.16 61.66 2.54 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 123.228 2.618 . . . . 0.0 113.157 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.44 51.0 0.43 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -91.85 17.25 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 0.0 111.102 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -59.72 -44.08 93.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.232 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.25 -45.43 91.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.445 0.64 . . . . 0.0 109.897 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.08 -49.64 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.798 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 40.0 p -63.26 -43.39 98.12 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.426 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.03 -49.5 77.13 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.787 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -58.97 -39.86 83.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.696 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -69.37 -51.37 37.37 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.793 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 8' ' ' THR . 91.3 mt -58.57 -47.16 85.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 110.791 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.13 38.44 0.77 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.189 0.519 . . . . 0.0 111.569 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.11 -60.04 0.01 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.254 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.03 -49.02 61.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.9 -24.85 52.49 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.506 0.67 . . . . 0.0 110.226 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -69.44 -43.91 72.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.035 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.966 -179.747 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 12.0 tt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.38 0.133 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 32.0 Cg_exo -59.28 138.14 82.87 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.528 2.152 . . . . 0.0 112.74 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -54.4 -42.53 70.55 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.109 0.48 . . . . 0.0 112.033 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -61.16 -33.51 73.55 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.465 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 t -59.64 -51.56 69.3 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -63.35 -38.86 92.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.15 -39.33 94.35 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.678 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -66.5 -38.54 87.46 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.102 0.477 . . . . 0.0 110.173 178.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.59 -42.26 74.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.686 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.21 -41.97 94.15 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 110.681 179.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.86 -49.71 49.66 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.414 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.87 -51.88 68.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.407 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 tp -96.52 46.37 1.06 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.56 -54.26 0.02 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.56 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 tp10 -72.82 -39.59 66.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.164 0.482 . . . . 0.0 111.169 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.3 3.99 4.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.699 0.762 . . . . 0.0 110.622 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 26.6 ptt85 -142.17 26.9 1.8 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.351 179.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 C--O 1.253 1.269 0 CA-C-O 118.547 -0.739 . . . . 0.0 111.79 179.574 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.446 HD12 ' HD2' ' A' ' 2' ' ' PRO . 4.3 tp . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HD2' HD12 ' A' ' 1' ' ' ILE . 7.4 Cg_exo -73.9 59.72 4.37 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.283 2.655 . . . . 0.0 113.434 -179.192 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.72 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.4 mt-10 -59.35 -41.79 90.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.401 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' HG ' ' C ' ' A' ' 3' ' ' GLU . 86.9 p 52.58 -86.99 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.03 0.932 . . . . 0.0 113.45 178.744 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -55.81 -46.82 77.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.612 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.635 ' HB2' ' HB3' ' A' ' 3' ' ' GLU . 5.2 mm-40 -58.58 -43.86 89.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.14 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.72 ' HG ' ' HB2' ' A' ' 3' ' ' GLU . 96.6 mt -64.17 -44.67 91.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.5 m -65.36 -45.68 83.18 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 13' ' ' LEU . 31.3 tp -56.38 -45.53 80.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.051 179.274 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.64 -41.83 86.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.24 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.34 -49.24 28.4 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.113 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -59.67 -47.73 84.46 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 111.524 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.639 HD13 HD12 ' A' ' 9' ' ' LEU . 9.6 mp -94.62 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.421 0.629 . . . . 0.0 111.459 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -94.72 0.1 Allowed Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.304 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.523 0.201 . . . . 0.0 111.456 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 35.7 mm-40 -85.68 -30.68 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.3 ttp180 -69.12 -51.86 34.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.232 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.02 -0.99 . . . . 0.0 112.606 178.636 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.49 HG23 ' HD2' ' A' ' 2' ' ' PRO . 43.8 mm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.49 ' HD2' HG23 ' A' ' 1' ' ' ILE . 41.1 Cg_endo -68.77 54.29 0.83 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.816 2.344 . . . . 0.0 112.758 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' OE2' ' HB ' ' A' ' 1' ' ' ILE . 7.1 mt-10 -68.34 -3.92 12.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.324 -179.421 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.8 p -55.19 -36.01 65.45 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 111.197 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -63.89 -44.2 93.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 178.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.29 -45.94 78.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.35 -44.82 95.19 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.871 179.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -65.06 -42.83 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.665 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.95 -46.32 85.19 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 177.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.05 -46.11 85.93 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.22 179.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.93 -45.44 89.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.472 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 11.4 tp -59.71 -49.38 77.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.216 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.688 HD12 ' HD3' ' A' ' 17' ' ' ARG . 50.5 tp -66.29 -43.45 86.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.37 -59.85 3.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 -177.3 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 38.3 tt0 -92.82 -48.32 6.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 12' ' ' LEU . 82.8 tt0 -63.2 -47.31 83.1 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.472 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HD3' HD12 ' A' ' 13' ' ' LEU . 3.3 ttt-85 -86.54 -55.05 4.06 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 45.5 mtm-85 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.52 -179.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 119.192 -0.432 . . . . 4.47 110.051 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -16.46 76.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.809 1 C-N-CA 126.016 4.477 . . . . 3.62 116.013 -179.709 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -69.23 -16.56 63.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.283 -0.872 . . . . 4.16 111.128 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -48.25 -47.32 36.11 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.674 -0.694 . . . . 1.52 112.635 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -65.7 -44.64 85.53 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.775 0.287 . . . . 1.53 111.775 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.41 -44.65 82.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.681 0.277 . . . . 3.18 110.751 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 2.51 111.111 179.342 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.6 p -68.54 -45.26 72.65 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.608 -0.437 . . . . 1.36 110.465 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.17 -49.97 75.52 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.435 -0.348 . . . . 1.95 110.941 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.37 -40.07 89.47 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.869 0.366 . . . . 3.14 110.838 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.27 -46.98 81.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.12 -0.491 . . . . 2.65 111.162 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.2 mt -60.15 -48.22 82.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.996 0.426 . . . . 1.67 110.294 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 8.3 mp -84.05 41.36 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.347 0.594 . . . . 2.14 111.848 179.041 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.65 -51.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.462 -0.79 . . . . 0.85 112.002 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 20.3 tp10 -75.2 -50.18 17.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.896 0.379 . . . . 3.51 111.052 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.79 -40.93 60.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.078 0.466 . . . . 3.61 110.22 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 71.4 mtt-85 -84.22 44.94 1.06 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 112.819 0.674 . . . . 4.84 112.819 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 70.1 mtt180 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.546 -0.74 . . . . 4.17 112.161 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -64.42 -47.55 78.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.664 0.269 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -61.72 -40.8 96.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.444 0.64 . . . . 0.0 109.481 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.25 -47.65 78.79 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.697 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 14.9 p -66.4 -42.31 88.05 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.609 0.242 . . . . 0.0 111.208 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.02 -50.06 75.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.417 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -63.66 -36.87 85.25 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.41 -50.45 69.79 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.941 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.8 mt -60.94 -51.22 70.2 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.893 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.51 32.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.491 0.662 . . . . 0.0 111.336 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' LEU . . . -128.27 -59.4 0.12 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.18 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.11 -37.89 32.72 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.676 -0.308 . . . . 0.0 111.532 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.31 -42.37 99.31 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.278 0.561 . . . . 0.0 110.58 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.949 179.044 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 120.898 0.38 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -65.53 -56.28 13.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.644 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -34.36 76.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.823 0.344 . . . . 0.0 110.505 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.97 -47.0 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.002 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -70.26 -38.39 75.12 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.877 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.54 -47.79 83.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -62.27 -38.64 90.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.59 -49.75 72.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.111 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.04 -52.32 59.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.907 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.03 37.43 0.76 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.408 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.08 -55.97 0.03 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.512 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -89.49 -50.27 6.2 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.093 0.447 . . . . 0.0 111.673 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.95 -38.79 92.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.186 0.517 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 . . . . . 0 CA--C 1.533 0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.841 178.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -73.84 -48.49 30.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.956 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.32 -44.52 97.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.441 0.639 . . . . 0.0 109.832 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.03 -47.68 83.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.562 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 p -66.74 -43.73 83.4 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.936 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.63 -46.33 84.27 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.486 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.16 -38.52 89.34 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.588 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.01 -46.12 79.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 8' ' ' THR . 75.6 mt -60.93 -59.72 4.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.94 42.45 1.06 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.697 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.21 -53.65 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.429 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 2.7 mm-40 -108.26 -42.6 4.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.52 -52.91 33.35 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.642 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -61.96 -53.6 53.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 111.86 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.01 -36.04 82.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -67.23 -49.28 65.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.22 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -63.65 -38.72 92.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.81 -47.81 83.48 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.005 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.83 -38.8 89.85 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.773 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -65.02 -52.2 57.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.509 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.49 -56.74 17.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.962 0.411 . . . . 0.0 110.029 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.62 42.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.396 0.617 . . . . 0.0 110.692 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.47 -58.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -111.54 -42.54 3.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.235 0.517 . . . . 0.0 112.11 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.03 -55.54 24.73 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.215 178.48 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 8' ' ' THR . 79.1 p . . . . . 0 N--CA 1.465 0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.3 t -60.27 -49.31 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -56.15 -42.98 77.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.928 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.82 -41.46 97.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.76 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 81.6 p -61.96 -46.48 89.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.489 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 5' ' ' SER . 7.6 mt -64.92 -46.49 81.45 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.22 -41.33 83.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.877 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.71 -48.29 75.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.226 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.9 mt -61.42 -50.46 72.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.808 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.18 -45.31 87.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.691 0.282 . . . . 0.0 110.782 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.86 62.96 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.098 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 3.8 mm-40 -63.51 -39.17 93.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.584 0.231 . . . . 0.0 111.556 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -37.95 82.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.658 0.266 . . . . 0.0 111.123 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -66.13 -55.04 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.0 -44.46 94.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.336 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.14 -45.31 93.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.448 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 20.8 p -70.37 -46.7 63.55 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.288 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD12 HD13 ' A' ' 13' ' ' LEU . 41.8 tp -58.72 -47.55 84.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.236 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.39 -41.22 96.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.3 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.0 -48.47 71.08 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.391 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.6 mt -61.08 -50.62 72.51 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.622 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.424 HD13 HD12 ' A' ' 9' ' ' LEU . 9.4 mp -85.97 39.3 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.181 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.82 -57.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.97 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -39.35 89.35 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.983 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.31 -5.74 41.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.516 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.509 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -72.11 -47.65 49.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.852 0.358 . . . . 0.0 110.441 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.1 -42.13 99.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.298 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.28 -45.03 96.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.229 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -71.79 -44.28 64.24 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.209 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.01 -46.55 90.3 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.407 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -59.25 -42.87 92.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.63 -43.37 66.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -53.84 -50.17 66.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.818 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -91.3 46.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.329 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.14 -54.01 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.401 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.6 tp10 -73.73 -35.62 65.09 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.08 0.44 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -72.02 -40.93 68.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.146 0.498 . . . . 0.0 109.961 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 14.4 mmp_? . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -65.94 -38.39 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.251 0.548 . . . . 0.0 109.946 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.04 -46.87 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.94 -41.93 70.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -64.89 -42.36 94.84 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 10' ' ' GLN . 4.4 pp -63.92 -35.23 79.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.023 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 9' ' ' LEU . 51.5 tt0 -65.46 -40.12 92.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.59 -46.59 82.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.209 0.528 . . . . 0.0 110.099 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.71 -56.65 12.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.902 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 6.7 mp -89.15 41.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.274 0.559 . . . . 0.0 111.485 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.15 -53.41 0.03 OUTLIER Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.207 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -105.23 -47.82 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 0.0 110.553 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -67.6 -55.76 12.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.923 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 31.6 ttm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.579 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -60.2 -43.83 95.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -59.22 -44.92 92.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -63.03 -47.12 84.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.935 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.648 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.5 p -66.36 -48.36 70.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.158 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.31 -45.88 83.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -56.74 -40.12 75.19 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -73.53 -45.64 52.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.995 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 8' ' ' THR . 71.6 mt -59.65 -53.24 60.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.83 48.33 1.01 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.22 0.533 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -43.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -108.65 -48.48 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.393 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.61 -42.59 91.4 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 17' ' ' ARG . 29.5 mtt85 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -74.6 -48.31 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.84 -44.54 96.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.656 0.265 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.26 -44.73 90.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.398 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 21.6 p -66.84 -40.93 88.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.904 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.52 -46.5 88.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.126 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -60.35 -45.07 94.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.35 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.35 -49.18 76.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.216 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 8' ' ' THR . 97.4 mt -60.61 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.773 ' HA ' HH21 ' A' ' 17' ' ' ARG . 36.1 tp -57.38 -45.89 83.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.31 -43.85 44.95 Favored Glycine 0 CA--C 1.521 0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 113.708 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.29 -40.79 94.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.204 0.502 . . . . 0.0 111.282 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.71 -42.55 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.773 HH21 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mtm-85 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.916 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.1 -48.17 77.16 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.19 -43.73 82.97 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.748 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.438 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 p -70.45 -44.67 67.32 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.833 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 33.1 tp -60.42 -47.1 87.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.282 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -56.16 -43.87 78.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.48 -45.2 95.24 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.3 mt -60.49 -44.64 95.73 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.776 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 98.1 mt -62.52 -42.72 99.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -44.45 97.61 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.96 -36.26 83.83 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 109.52 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -68.62 -51.31 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.59 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.179 -179.881 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 p . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -65.71 -44.56 85.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -61.09 -40.09 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 109.895 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 tp -71.51 -48.67 47.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.3 p -63.39 -50.14 71.05 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.63 -46.15 89.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.412 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.63 -42.2 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.88 -39.77 94.96 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.592 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 8' ' ' THR . 87.4 mt -54.59 -32.83 59.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.84 31.79 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 0.0 110.452 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.2 -102.36 1.7 Allowed Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -73.64 -33.71 64.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.493 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.85 -22.59 66.99 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.465 0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -64.63 -41.51 96.12 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -55.27 -39.63 70.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.559 0.695 . . . . 0.0 110.626 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 26.6 tp -63.89 -43.78 94.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.079 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 34.4 p -49.69 -46.11 49.62 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.24 -51.1 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 0.0 111.598 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -62.11 -38.93 90.74 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.377 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 55.6 mt-10 -63.35 -46.51 86.24 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.712 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -57.03 -44.62 83.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.975 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.457 ' HA ' HH11 ' A' ' 17' ' ' ARG . 7.1 mp -90.44 41.95 1.08 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.398 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -54.65 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.47 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -70.75 -47.37 59.98 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.22 -32.82 72.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.457 HH11 ' HA ' ' A' ' 13' ' ' LEU . 65.8 mtt85 . . . . . 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.118 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -63.13 -45.22 93.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.544 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 7' ' ' LEU . 4.1 mm? -67.57 -42.63 82.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.61 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.3 p -66.83 -43.56 83.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.816 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 52.8 tp -61.23 -47.11 87.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.629 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -58.41 -40.71 83.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.173 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.44 -46.16 81.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.279 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 96.0 mt -58.78 -49.21 78.5 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.221 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 87.6 mt -59.39 -40.44 86.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.11 97.73 Favored Glycine 0 C--O 1.224 -0.476 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.216 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -72.99 -41.31 64.44 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 0.0 111.426 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -78.0 -37.14 47.79 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 . . . . . 0 CA--C 1.535 0.404 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.017 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -56.64 -38.38 72.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.55 -49.64 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 109.291 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.63 -44.51 93.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.461 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.503 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 45.9 p -63.74 -43.14 97.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.305 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.46 -47.84 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.001 0.429 . . . . 0.0 110.206 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.67 -40.36 87.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.96 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.04 -46.56 83.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.715 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.6 mt -59.99 -47.38 86.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.329 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.5 mt -63.48 -39.62 94.94 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.29 94.28 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.435 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.11 -42.17 94.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.907 0.353 . . . . 0.0 110.134 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.93 -43.12 99.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -58.11 -43.52 87.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.57 -49.57 76.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.47 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.92 -45.95 92.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.2 -46.32 90.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.775 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.37 -45.49 93.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.02 -40.05 92.1 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.892 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.6 -46.4 69.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.809 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.64 -48.34 75.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.607 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.39 40.03 0.86 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.164 0.507 . . . . 0.0 111.245 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.62 -51.72 0.01 OUTLIER Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.974 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.32 -49.51 75.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.096 0.448 . . . . 0.0 111.318 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.7 25.24 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.942 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 CA--C 1.532 0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 179.633 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.951 0.405 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -63.81 -50.41 69.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.804 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.7 -46.77 86.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.007 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.64 -45.22 91.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.827 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 26.8 p -68.09 -45.6 73.3 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.352 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.72 -50.51 73.55 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.48 -43.42 96.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.23 -38.08 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 8' ' ' THR . 93.9 mt -57.9 -47.54 82.5 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.72 45.85 1.11 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.993 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.58 -52.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.252 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -52.77 -56.93 12.08 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.251 0.548 . . . . 0.0 110.436 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.65 41.27 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.905 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.195 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.6 t -61.97 -61.77 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.389 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.79 -36.55 83.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.034 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -43.7 95.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.256 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 11.5 p -67.59 -44.34 78.39 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.957 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 5' ' ' SER . 17.5 mt -62.15 -48.74 78.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.106 0.479 . . . . 0.0 110.229 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -62.16 -34.96 77.4 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.23 -49.55 64.05 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.342 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 86.2 mt -62.64 -52.53 62.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.266 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.97 42.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.828 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.23 -54.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.12 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.24 -33.04 5.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -56.44 -48.15 77.61 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 179.243 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 2.8 ptp180 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 121.055 0.455 . . . . 0.0 109.963 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.3 p . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -73.87 -54.46 7.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.038 0.447 . . . . 0.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.034 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.77 84.76 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.588 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 24.8 m -64.19 -43.46 95.01 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.93 -48.45 79.86 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -59.18 -41.73 89.15 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.097 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.55 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.809 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.2 mt -57.52 -50.92 71.49 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HG ' ' NE ' ' A' ' 17' ' ' ARG . 43.1 tp -58.94 -33.7 70.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.016 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.41 -47.32 85.59 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.82 -39.91 87.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.206 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.27 -37.04 81.73 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.945 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' NE ' ' HG ' ' A' ' 13' ' ' LEU . 85.9 mtm180 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.769 0.318 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -59.72 -44.08 93.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.232 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.25 -45.43 91.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.445 0.64 . . . . 0.0 109.897 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.08 -49.64 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.798 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 40.0 p -63.26 -43.39 98.12 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.426 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.03 -49.5 77.13 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.787 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -58.97 -39.86 83.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.696 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -69.37 -51.37 37.37 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.793 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 8' ' ' THR . 91.3 mt -58.57 -47.16 85.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 110.791 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.13 38.44 0.77 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.189 0.519 . . . . 0.0 111.569 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.11 -60.04 0.01 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.254 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.03 -49.02 61.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.9 -24.85 52.49 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.506 0.67 . . . . 0.0 110.226 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 . . . . . 0 CA--C 1.537 0.476 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.035 179.892 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 t -59.64 -51.56 69.3 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -63.35 -38.86 92.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.15 -39.33 94.35 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.678 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -66.5 -38.54 87.46 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.102 0.477 . . . . 0.0 110.173 178.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.59 -42.26 74.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.686 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.21 -41.97 94.15 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 110.681 179.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.86 -49.71 49.66 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.414 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.87 -51.88 68.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.407 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 tp -96.52 46.37 1.06 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.56 -54.26 0.02 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.56 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 tp10 -72.82 -39.59 66.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.164 0.482 . . . . 0.0 111.169 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.3 3.99 4.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.699 0.762 . . . . 0.0 110.622 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 26.6 ptt85 . . . . . 0 CA--C 1.54 0.586 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.351 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -55.81 -46.82 77.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.612 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.58 -43.86 89.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.14 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.17 -44.67 91.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.5 m -65.36 -45.68 83.18 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 13' ' ' LEU . 31.3 tp -56.38 -45.53 80.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.051 179.274 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.64 -41.83 86.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.24 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.34 -49.24 28.4 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.113 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -59.67 -47.73 84.46 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 111.524 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.639 HD13 HD12 ' A' ' 9' ' ' LEU . 9.6 mp -94.62 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.421 0.629 . . . . 0.0 111.459 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -94.72 0.1 Allowed Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.304 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.523 0.201 . . . . 0.0 111.456 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 35.7 mm-40 -85.68 -30.68 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.3 ttp180 . . . . . 0 CA--C 1.531 0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.232 179.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.8 p . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -63.89 -44.2 93.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 178.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.29 -45.94 78.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.35 -44.82 95.19 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.871 179.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -65.06 -42.83 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.665 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.95 -46.32 85.19 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 177.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.05 -46.11 85.93 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.22 179.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.93 -45.44 89.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.472 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 11.4 tp -59.71 -49.38 77.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.216 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.688 HD12 ' HD3' ' A' ' 17' ' ' ARG . 50.5 tp -66.29 -43.45 86.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.37 -59.85 3.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 -177.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -92.82 -48.32 6.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 12' ' ' LEU . 82.8 tt0 -63.2 -47.31 83.1 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.472 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HD3' HD12 ' A' ' 13' ' ' LEU . 3.3 ttt-85 . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.635 0.606 . . . . 1.52 112.635 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -65.7 -44.64 85.53 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.775 0.287 . . . . 1.53 111.775 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.41 -44.65 82.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.681 0.277 . . . . 3.18 110.751 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 2.51 111.111 179.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.6 p -68.54 -45.26 72.65 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.608 -0.437 . . . . 1.36 110.465 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.17 -49.97 75.52 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.435 -0.348 . . . . 1.95 110.941 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.37 -40.07 89.47 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.869 0.366 . . . . 3.14 110.838 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.27 -46.98 81.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.12 -0.491 . . . . 2.65 111.162 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.2 mt -60.15 -48.22 82.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.996 0.426 . . . . 1.67 110.294 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 8.3 mp -84.05 41.36 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.347 0.594 . . . . 2.14 111.848 179.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.65 -51.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.462 -0.79 . . . . 0.85 112.002 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -75.2 -50.18 17.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.896 0.379 . . . . 3.51 111.052 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.79 -40.93 60.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.078 0.466 . . . . 3.61 110.22 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 71.4 mtt-85 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 112.819 0.674 . . . . 4.84 112.819 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.579 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 1.1 pp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.697 0.284 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.68 44.73 1.71 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.803 2.335 . . . . 0.0 113.143 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.579 ' HG2' ' HB ' ' A' ' 1' ' ' ILE . 32.3 mm-40 -78.13 -23.35 47.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 p 69.4 -39.16 0.42 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.205 1.002 . . . . 0.0 111.901 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -64.42 -47.55 78.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.664 0.269 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -61.72 -40.8 96.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.444 0.64 . . . . 0.0 109.481 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.25 -47.65 78.79 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.697 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 14.9 p -66.4 -42.31 88.05 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.609 0.242 . . . . 0.0 111.208 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.02 -50.06 75.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 110.417 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -63.66 -36.87 85.25 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.41 -50.45 69.79 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.941 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.8 mt -60.94 -51.22 70.2 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.893 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.51 32.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.491 0.662 . . . . 0.0 111.336 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' LEU . . . -128.27 -59.4 0.12 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.18 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.11 -37.89 32.72 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.676 -0.308 . . . . 0.0 111.532 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -62.31 -42.37 99.31 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.278 0.561 . . . . 0.0 110.58 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -106.88 40.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.949 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HD3' ' OXT' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.936 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 7.3 tt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.688 ' HB2' ' HB3' ' A' ' 5' ' ' SER . 2.6 Cg_endo -80.63 106.94 1.9 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.651 2.234 . . . . 0.0 112.424 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -58.09 -45.81 86.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.777 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p -59.81 -38.6 82.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.322 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.688 ' HB3' ' HB2' ' A' ' 2' ' ' PRO . 4.5 t -65.53 -56.28 13.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.644 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 0.3 OUTLIER -62.26 -34.36 76.4 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.823 0.344 . . . . 0.0 110.505 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.97 -47.0 76.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.002 177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -70.26 -38.39 75.12 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.877 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.54 -47.79 83.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -62.27 -38.64 90.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.59 -49.75 72.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.111 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.04 -52.32 59.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.907 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.03 37.43 0.76 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.408 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.08 -55.97 0.03 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.512 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -89.49 -50.27 6.2 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 117.093 0.447 . . . . 0.0 111.673 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.95 -38.79 92.47 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.186 0.517 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -102.02 37.63 1.82 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.841 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.8 tpm_? . . . . . 0 C--O 1.257 1.49 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.738 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 3' ' ' GLU . 8.1 tt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.615 0.245 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 11.6 Cg_exo -71.68 66.82 3.04 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.211 2.608 . . . . 0.0 113.262 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.58 ' HG3' HG23 ' A' ' 1' ' ' ILE . 46.2 mt-10 -69.91 55.37 0.13 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -168.63 -54.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.981 0.42 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -73.84 -48.49 30.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.956 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -61.32 -44.52 97.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.441 0.639 . . . . 0.0 109.832 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 3' ' ' GLU . 10.9 mp -62.03 -47.68 83.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.562 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 p -66.74 -43.73 83.4 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.936 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.63 -46.33 84.27 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.486 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.16 -38.52 89.34 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.588 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.01 -46.12 79.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 8' ' ' THR . 75.6 mt -60.93 -59.72 4.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.94 42.45 1.06 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.697 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.21 -53.65 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.429 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 2.7 mm-40 -108.26 -42.6 4.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.52 -52.91 33.35 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.03 70.57 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.642 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.443 179.038 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.12 129.88 13.65 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.26 1.974 . . . . 0.0 112.449 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 1.038 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 54.9 mm-40 -59.74 -38.1 80.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.463 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p 54.39 -89.82 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.546 0.738 . . . . 0.0 112.201 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -61.96 -53.6 53.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 111.86 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.01 -36.04 82.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.038 ' HB2' ' HB2' ' A' ' 3' ' ' GLU . 36.5 tp -67.23 -49.28 65.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.22 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -63.65 -38.72 92.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.81 -47.81 83.48 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.005 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.83 -38.8 89.85 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.773 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -65.02 -52.2 57.3 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.509 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.49 -56.74 17.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.962 0.411 . . . . 0.0 110.029 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -84.62 42.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.396 0.617 . . . . 0.0 110.692 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.47 -58.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.578 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 78.3 tt0 -111.54 -42.54 3.84 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.235 0.517 . . . . 0.0 112.11 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.03 -55.54 24.73 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 25.7 ttt-85 -75.87 -36.01 59.7 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.215 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.677 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.9 mmp_? . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.708 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.0 mt . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.44 57.53 3.55 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.794 2.329 . . . . 0.0 112.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 18.2 mt-10 -72.12 49.74 0.2 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 8' ' ' THR . 79.1 p -65.96 -46.35 78.43 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.3 t -60.27 -49.31 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.127 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 3' ' ' GLU . 12.4 mp0 -56.15 -42.98 77.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.928 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.82 -41.46 97.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.76 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 81.6 p -61.96 -46.48 89.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.489 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 5' ' ' SER . 7.6 mt -64.92 -46.49 81.45 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -58.22 -41.33 83.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.877 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.71 -48.29 75.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.226 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.9 mt -61.42 -50.46 72.75 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.808 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.18 -45.31 87.77 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.691 0.282 . . . . 0.0 110.782 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.86 62.96 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.098 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' CD ' HH21 ' A' ' 18' ' ' ARG . 3.8 mm-40 -63.51 -39.17 93.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.584 0.231 . . . . 0.0 111.556 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -37.95 82.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 120.658 0.266 . . . . 0.0 111.123 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -78.2 -66.87 0.79 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' A' ' 15' ' ' GLU . 99.7 mtt180 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.588 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.367 0.127 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.87 119.39 6.39 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.243 1.962 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.48 -15.37 49.57 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.251 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 p -51.25 -35.35 36.76 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.861 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -66.13 -55.04 18.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.908 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.0 -44.46 94.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.336 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.14 -45.31 93.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.448 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 20.8 p -70.37 -46.7 63.55 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.288 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD12 HD13 ' A' ' 13' ' ' LEU . 41.8 tp -58.72 -47.55 84.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.236 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.39 -41.22 96.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.3 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.0 -48.47 71.08 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.391 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.6 mt -61.08 -50.62 72.51 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.08 0.467 . . . . 0.0 110.622 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 HD13 HD12 ' A' ' 9' ' ' LEU . 9.4 mp -85.97 39.3 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.181 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.82 -57.35 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.97 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 39.4 tt0 -66.28 -39.35 89.35 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.983 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.31 -5.74 41.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.516 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -131.56 44.15 2.97 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HE ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.341 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.152 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.85 109.44 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 122.11 1.873 . . . . 0.0 113.203 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -62.56 -34.7 77.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.758 0.313 . . . . 0.0 111.674 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.7 p -75.23 39.04 0.14 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -72.11 -47.65 49.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.852 0.358 . . . . 0.0 110.441 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.1 -42.13 99.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.298 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.28 -45.03 96.19 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.229 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.3 p -71.79 -44.28 64.24 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.209 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.01 -46.55 90.3 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 111.407 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -59.25 -42.87 92.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -71.63 -43.37 66.29 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.021 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -53.84 -50.17 66.81 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.818 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -91.3 46.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.329 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.14 -54.01 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.401 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 4.6 tp10 -73.73 -35.62 65.09 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.08 0.44 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -72.02 -40.93 68.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.146 0.498 . . . . 0.0 109.961 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 14.4 mmp_? -85.65 48.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 49.1 mmm-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.317 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.437 HG13 ' HD2' ' A' ' 2' ' ' PRO . 10.4 tt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.5 0.19 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 1' ' ' ILE . 37.3 Cg_endo -69.39 123.15 9.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.107 1.871 . . . . 0.0 112.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.78 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.316 0.579 . . . . 0.0 111.185 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 p -160.3 -52.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.083 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -65.94 -38.39 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.251 0.548 . . . . 0.0 109.946 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.04 -46.87 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.674 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.94 -41.93 70.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -64.89 -42.36 94.84 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 10' ' ' GLN . 4.4 pp -63.92 -35.23 79.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.023 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 9' ' ' LEU . 51.5 tt0 -65.46 -40.12 92.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.59 -46.59 82.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.209 0.528 . . . . 0.0 110.099 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.71 -56.65 12.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.902 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 6.7 mp -89.15 41.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.274 0.559 . . . . 0.0 111.485 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -145.15 -53.41 0.03 OUTLIER Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.207 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -105.23 -47.82 3.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 0.0 110.553 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -67.6 -55.76 12.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.923 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HA ' ' A' ' 13' ' ' LEU . 31.6 ttm180 -99.23 57.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.579 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 16.5 ptm180 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.298 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 37.7 pt . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 120.516 0.198 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 17.2 Cg_exo -67.1 121.78 9.0 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.644 2.229 . . . . 0.0 112.613 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.74 52.07 0.4 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 p -172.25 -52.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -60.2 -43.83 95.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.197 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -59.22 -44.92 92.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.152 0.501 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -63.03 -47.12 84.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.935 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.648 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.5 p -66.36 -48.36 70.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.158 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.31 -45.88 83.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -56.74 -40.12 75.19 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -73.53 -45.64 52.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.995 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 8' ' ' THR . 71.6 mt -59.65 -53.24 60.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 111.254 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.83 48.33 1.01 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.22 0.533 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.01 -43.92 0.02 OUTLIER Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -108.65 -48.48 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.393 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.61 -42.59 91.4 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 17' ' ' ARG . 29.5 mtt85 -104.18 -52.11 2.99 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 . . . . . 0 C--O 1.253 1.265 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.385 -177.846 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.485 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 53.5 mt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 8.0 Cg_exo -72.49 57.99 3.02 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.131 2.554 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.56 -52.69 16.79 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.115 0.566 . . . . 0.0 112.498 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -54.99 -43.51 73.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 m -74.6 -48.31 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.84 -44.54 96.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.656 0.265 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.26 -44.73 90.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.398 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 21.6 p -66.84 -40.93 88.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.904 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.52 -46.5 88.66 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.126 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -60.35 -45.07 94.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.35 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.35 -49.18 76.61 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.216 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 8' ' ' THR . 97.4 mt -60.61 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.773 ' HA ' HH21 ' A' ' 17' ' ' ARG . 36.1 tp -57.38 -45.89 83.98 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.31 -43.85 44.95 Favored Glycine 0 CA--C 1.521 0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 113.708 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' CD ' HH21 ' A' ' 18' ' ' ARG . 4.7 tp10 -65.29 -40.79 94.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.204 0.502 . . . . 0.0 111.282 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.71 -42.55 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.773 HH21 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mtm-85 -110.86 59.47 0.61 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 HH21 ' CD ' ' A' ' 15' ' ' GLU . 37.4 mmt180 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.794 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.564 HG13 ' HD2' ' A' ' 2' ' ' PRO . 17.6 tt . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.428 0.156 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 1' ' ' ILE . 56.0 Cg_endo -70.23 44.0 0.44 Allowed 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.902 2.401 . . . . 0.0 114.366 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 1' ' ' ILE . 43.7 mt-10 -85.19 84.65 7.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.816 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.4 p -51.1 -41.6 60.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.007 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -62.03 -46.58 88.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.916 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.1 -48.17 77.16 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.19 -43.73 82.97 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.748 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.438 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 p -70.45 -44.67 67.32 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.833 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 33.1 tp -60.42 -47.1 87.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.282 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -56.16 -43.87 78.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.48 -45.2 95.24 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 8' ' ' THR . 92.3 mt -60.49 -44.64 95.73 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.776 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 98.1 mt -62.52 -42.72 99.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.581 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.43 -44.45 97.61 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 35.7 tt0 -64.96 -36.26 83.83 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 109.52 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -68.62 -51.31 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.59 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -88.81 55.73 3.47 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.179 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 2.9 mmm180 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.375 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.781 HD12 ' HD2' ' A' ' 2' ' ' PRO . 6.0 tp . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.954 0.407 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.781 ' HD2' HD12 ' A' ' 1' ' ' ILE . 60.9 Cg_endo -73.33 55.42 3.03 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.035 2.49 . . . . 0.0 114.249 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' HG3' HG13 ' A' ' 1' ' ' ILE . 54.3 mt-10 -75.22 49.01 0.44 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.062 0.458 . . . . 0.0 111.621 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 p -75.49 -43.08 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.574 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -65.71 -44.56 85.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 3' ' ' GLU . 6.8 mp0 -61.09 -40.09 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.142 0.496 . . . . 0.0 109.895 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 tp -71.51 -48.67 47.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.742 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.3 p -63.39 -50.14 71.05 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.63 -46.15 89.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.761 0.315 . . . . 0.0 111.412 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.63 -42.2 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.88 -39.77 94.96 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.592 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 8' ' ' THR . 87.4 mt -54.59 -32.83 59.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.84 31.79 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 0.0 110.452 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.2 -102.36 1.7 Allowed Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 18.3 tp10 -73.64 -33.71 64.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.07 0.462 . . . . 0.0 110.493 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -63.85 -22.59 66.99 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -133.64 46.12 2.59 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.289 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.913 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 38.4 pt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.913 ' HD2' ' HB ' ' A' ' 1' ' ' ILE . 42.9 Cg_endo -68.47 51.87 0.62 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.427 2.085 . . . . 0.0 113.21 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.661 ' HG3' HG13 ' A' ' 1' ' ' ILE . 1.6 mt-10 -57.11 -51.07 70.76 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.164 0.586 . . . . 0.0 112.125 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p -68.73 -41.13 79.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -64.63 -41.51 96.12 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -55.27 -39.63 70.06 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.559 0.695 . . . . 0.0 110.626 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 26.6 tp -63.89 -43.78 94.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.079 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 34.4 p -49.69 -46.11 49.62 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.24 -51.1 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 0.0 111.598 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -62.11 -38.93 90.74 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.377 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 7' ' ' LEU . 55.6 mt-10 -63.35 -46.51 86.24 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.712 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -57.03 -44.62 83.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.975 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' HA ' HH11 ' A' ' 17' ' ' ARG . 7.1 mp -90.44 41.95 1.08 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.398 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.82 -54.65 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.47 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 62.1 mm-40 -70.75 -47.37 59.98 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.22 -32.82 72.34 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 HH11 ' HA ' ' A' ' 13' ' ' LEU . 65.8 mtt85 -79.71 -47.63 15.01 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.118 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 10.6 mmp_? . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.341 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.265 0.079 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.62 135.01 37.29 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 122.821 2.348 . . . . 0.0 113.209 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -72.63 50.59 0.25 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.864 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.5 p -66.03 -30.38 70.91 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -63.13 -45.22 93.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.544 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 7' ' ' LEU . 4.1 mm? -67.57 -42.63 82.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.61 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.3 p -66.83 -43.56 83.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.816 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 52.8 tp -61.23 -47.11 87.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.629 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -58.41 -40.71 83.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.173 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.44 -46.16 81.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.279 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 96.0 mt -58.78 -49.21 78.5 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.221 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 87.6 mt -59.39 -40.44 86.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.538 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -64.17 -40.11 97.73 Favored Glycine 0 C--O 1.224 -0.476 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.216 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 16.9 tp10 -72.99 -41.31 64.44 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 0.0 111.426 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -78.0 -37.14 47.79 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -122.44 56.11 1.13 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 7.2 ptp180 . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.865 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.733 ' HB ' ' CD ' ' A' ' 2' ' ' PRO . 39.4 pt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.733 ' CD ' ' HB ' ' A' ' 1' ' ' ILE . 22.0 Cg_exo -66.82 53.36 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 122.442 2.095 . . . . 0.0 113.839 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HG13 ' A' ' 1' ' ' ILE . 2.4 mt-10 -76.31 52.37 0.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.993 0.517 . . . . 0.0 111.641 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.7 p -64.77 -37.8 88.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -56.64 -38.38 72.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.682 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.55 -49.64 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 109.291 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.63 -44.51 93.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.461 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.503 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 45.9 p -63.74 -43.14 97.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.305 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.46 -47.84 80.17 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.001 0.429 . . . . 0.0 110.206 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.67 -40.36 87.55 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.96 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.04 -46.56 83.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.715 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.6 mt -59.99 -47.38 86.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.329 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.5 mt -63.48 -39.62 94.94 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.29 94.28 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.435 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.11 -42.17 94.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.907 0.353 . . . . 0.0 110.134 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.93 -43.12 99.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -101.26 52.24 0.84 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.987 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 9.3 tt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.507 0.194 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 14.3 Cg_exo -70.15 73.51 1.55 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.122 2.548 . . . . 0.0 113.129 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' HG3' HG23 ' A' ' 1' ' ' ILE . 89.3 mt-10 -70.29 55.99 0.15 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.216 0.531 . . . . 0.0 111.922 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p -160.85 -42.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.964 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -58.11 -43.52 87.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.57 -49.57 76.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.47 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.92 -45.95 92.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -61.2 -46.32 90.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.775 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.37 -45.49 93.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.02 -40.05 92.1 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.892 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.6 -46.4 69.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.809 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.64 -48.34 75.14 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.607 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.39 40.03 0.86 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.164 0.507 . . . . 0.0 111.245 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.62 -51.72 0.01 OUTLIER Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.974 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 16.4 tp10 -62.32 -49.51 75.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.096 0.448 . . . . 0.0 111.318 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.7 25.24 0.44 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.942 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -145.34 28.93 1.18 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 7.1 ppt_? . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.237 -0.887 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.913 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 39.1 pt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.913 ' HD2' ' HB ' ' A' ' 1' ' ' ILE . 55.8 Cg_endo -71.83 54.37 2.06 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.966 1.778 . . . . 0.0 112.75 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HG3' HG13 ' A' ' 1' ' ' ILE . 6.9 mp0 -56.87 -56.52 20.57 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.992 0.425 . . . . 0.0 112.026 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -63.44 -40.24 96.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.465 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -63.81 -50.41 69.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.804 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.7 -46.77 86.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.007 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.64 -45.22 91.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.827 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 26.8 p -68.09 -45.6 73.3 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.352 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.72 -50.51 73.55 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.48 -43.42 96.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.23 -38.08 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 8' ' ' THR . 93.9 mt -57.9 -47.54 82.5 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.72 45.85 1.11 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.993 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.58 -52.99 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.252 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -52.77 -56.93 12.08 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.251 0.548 . . . . 0.0 110.436 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -85.65 41.27 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.905 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -152.21 -47.35 0.1 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.471 -179.067 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 1' ' ' ILE . 3.9 mp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.5 130.39 26.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.488 2.126 . . . . 0.0 112.34 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.7 mp0 -53.57 -33.55 55.16 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.78 -179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -52.93 -29.12 26.83 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.228 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 5.6 t -61.97 -61.77 2.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.122 0.487 . . . . 0.0 111.389 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.79 -36.55 83.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.034 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -43.7 95.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.256 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 11.5 p -67.59 -44.34 78.39 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.957 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 5' ' ' SER . 17.5 mt -62.15 -48.74 78.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.106 0.479 . . . . 0.0 110.229 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -62.16 -34.96 77.4 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.23 -49.55 64.05 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.342 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 86.2 mt -62.64 -52.53 62.98 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.266 178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.97 42.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.828 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.23 -54.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.12 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 18' ' ' ARG . 43.5 mt-10 -115.24 -33.04 5.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -56.44 -48.15 77.61 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.961 0.41 . . . . 0.0 110.263 179.243 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 2.8 ptp180 -108.37 44.17 1.15 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.055 0.455 . . . . 0.0 109.963 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.688 -0.672 . . . . 0.0 111.914 -179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 1' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.72 59.23 2.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.291 2.66 . . . . 0.0 112.997 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.18 59.89 0.27 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 112.355 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.3 p -155.6 -61.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.828 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -73.87 -54.46 7.93 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.038 0.447 . . . . 0.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.034 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.77 84.76 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.588 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 24.8 m -64.19 -43.46 95.01 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.93 -48.45 79.86 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -59.18 -41.73 89.15 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.097 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.55 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.809 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 8' ' ' THR . 94.2 mt -57.52 -50.92 71.49 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HG ' ' NE ' ' A' ' 17' ' ' ARG . 43.1 tp -58.94 -33.7 70.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.016 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.41 -47.32 85.59 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 86.1 tt0 -66.82 -39.91 87.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.206 178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.27 -37.04 81.73 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.945 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' NE ' ' HG ' ' A' ' 13' ' ' LEU . 85.9 mtm180 -78.28 41.91 0.4 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 18.3 mmt-85 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.465 -0.778 . . . . 0.0 111.872 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 48.0 mm . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 10.6 Cg_exo -71.16 61.66 2.54 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 123.228 2.618 . . . . 0.0 113.157 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.44 51.0 0.43 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -91.85 17.25 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.318 . . . . 0.0 111.102 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -59.72 -44.08 93.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.232 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.25 -45.43 91.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.445 0.64 . . . . 0.0 109.897 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.08 -49.64 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.798 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 40.0 p -63.26 -43.39 98.12 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.426 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.03 -49.5 77.13 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.787 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -58.97 -39.86 83.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.696 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -69.37 -51.37 37.37 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.793 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 8' ' ' THR . 91.3 mt -58.57 -47.16 85.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.06 0.457 . . . . 0.0 110.791 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.13 38.44 0.77 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.189 0.519 . . . . 0.0 111.569 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.11 -60.04 0.01 OUTLIER Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.254 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.03 -49.02 61.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.9 -24.85 52.49 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.506 0.67 . . . . 0.0 110.226 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -69.44 -43.91 72.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.035 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.5 ptt85 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.966 -179.747 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 12.0 tt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.38 0.133 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 1' ' ' ILE . 32.0 Cg_exo -59.28 138.14 82.87 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.528 2.152 . . . . 0.0 112.74 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -54.4 -42.53 70.55 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.109 0.48 . . . . 0.0 112.033 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -61.16 -33.51 73.55 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.465 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 t -59.64 -51.56 69.3 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -63.35 -38.86 92.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.541 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.15 -39.33 94.35 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.678 178.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -66.5 -38.54 87.46 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.102 0.477 . . . . 0.0 110.173 178.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.59 -42.26 74.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.686 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.21 -41.97 94.15 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 110.681 179.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.86 -49.71 49.66 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.414 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.87 -51.88 68.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.953 0.406 . . . . 0.0 111.407 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.3 tp -96.52 46.37 1.06 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.147 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.56 -54.26 0.02 OUTLIER Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.56 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 tp10 -72.82 -39.59 66.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.164 0.482 . . . . 0.0 111.169 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.3 3.99 4.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.699 0.762 . . . . 0.0 110.622 178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 26.6 ptt85 -142.17 26.9 1.8 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.351 179.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 C--O 1.253 1.269 0 CA-C-O 118.547 -0.739 . . . . 0.0 111.79 179.574 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.446 HD12 ' HD2' ' A' ' 2' ' ' PRO . 4.3 tp . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HD2' HD12 ' A' ' 1' ' ' ILE . 7.4 Cg_exo -73.9 59.72 4.37 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.283 2.655 . . . . 0.0 113.434 -179.192 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.72 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.4 mt-10 -59.35 -41.79 90.01 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.401 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' HG ' ' C ' ' A' ' 3' ' ' GLU . 86.9 p 52.58 -86.99 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.03 0.932 . . . . 0.0 113.45 178.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -55.81 -46.82 77.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.482 0.313 . . . . 0.0 111.612 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.635 ' HB2' ' HB3' ' A' ' 3' ' ' GLU . 5.2 mm-40 -58.58 -43.86 89.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.14 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.72 ' HG ' ' HB2' ' A' ' 3' ' ' GLU . 96.6 mt -64.17 -44.67 91.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 3.5 m -65.36 -45.68 83.18 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.606 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD12 HD13 ' A' ' 13' ' ' LEU . 31.3 tp -56.38 -45.53 80.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.051 179.274 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.64 -41.83 86.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.24 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.34 -49.24 28.4 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.113 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 8' ' ' THR . 89.8 mt -59.67 -47.73 84.46 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 111.524 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.639 HD13 HD12 ' A' ' 9' ' ' LEU . 9.6 mp -94.62 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.421 0.629 . . . . 0.0 111.459 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.81 -94.72 0.1 Allowed Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.304 179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.523 0.201 . . . . 0.0 111.456 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 35.7 mm-40 -85.68 -30.68 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.3 ttp180 -69.12 -51.86 34.09 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.232 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.02 -0.99 . . . . 0.0 112.606 178.636 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.49 HG23 ' HD2' ' A' ' 2' ' ' PRO . 43.8 mm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.49 ' HD2' HG23 ' A' ' 1' ' ' ILE . 41.1 Cg_endo -68.77 54.29 0.83 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.816 2.344 . . . . 0.0 112.758 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' OE2' ' HB ' ' A' ' 1' ' ' ILE . 7.1 mt-10 -68.34 -3.92 12.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.324 -179.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.8 p -55.19 -36.01 65.45 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.811 0.338 . . . . 0.0 111.197 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -63.89 -44.2 93.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 178.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.29 -45.94 78.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.35 -44.82 95.19 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.871 179.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -65.06 -42.83 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.665 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.95 -46.32 85.19 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 177.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -58.05 -46.11 85.93 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.22 179.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.93 -45.44 89.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.472 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 11.4 tp -59.71 -49.38 77.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.216 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.688 HD12 ' HD3' ' A' ' 17' ' ' ARG . 50.5 tp -66.29 -43.45 86.31 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.37 -59.85 3.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 -177.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 38.3 tt0 -92.82 -48.32 6.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 12' ' ' LEU . 82.8 tt0 -63.2 -47.31 83.1 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.472 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HD3' HD12 ' A' ' 13' ' ' LEU . 3.3 ttt-85 -86.54 -55.05 4.06 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 45.5 mtm-85 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 118.736 -0.649 . . . . 0.0 112.52 -179.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 119.192 -0.432 . . . . 4.47 110.051 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -16.46 76.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.809 1 C-N-CA 126.016 4.477 . . . . 3.62 116.013 -179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -69.23 -16.56 63.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.283 -0.872 . . . . 4.16 111.128 -179.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -48.25 -47.32 36.11 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.674 -0.694 . . . . 1.52 112.635 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -65.7 -44.64 85.53 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.775 0.287 . . . . 1.53 111.775 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.41 -44.65 82.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.681 0.277 . . . . 3.18 110.751 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 2.51 111.111 179.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 13.6 p -68.54 -45.26 72.65 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.608 -0.437 . . . . 1.36 110.465 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.17 -49.97 75.52 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.435 -0.348 . . . . 1.95 110.941 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -60.37 -40.07 89.47 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.869 0.366 . . . . 3.14 110.838 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.27 -46.98 81.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.12 -0.491 . . . . 2.65 111.162 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 8' ' ' THR . 90.2 mt -60.15 -48.22 82.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.996 0.426 . . . . 1.67 110.294 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 8.3 mp -84.05 41.36 0.81 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.347 0.594 . . . . 2.14 111.848 179.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.65 -51.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.462 -0.79 . . . . 0.85 112.002 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 20.3 tp10 -75.2 -50.18 17.04 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.896 0.379 . . . . 3.51 111.052 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -74.79 -40.93 60.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.078 0.466 . . . . 3.61 110.22 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 71.4 mtt-85 -84.22 44.94 1.06 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 112.819 0.674 . . . . 4.84 112.819 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 70.1 mtt180 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.546 -0.74 . . . . 4.17 112.161 178.958 . . . . . . . . 1 1 . 1 stop_ save_