data_2js5_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 2js5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -65.1 -48.78 72.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.477 . . . . 0.0 110.167 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.552 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.2 -51.56 69.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.783 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -62.37 -48.7 78.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.023 0.439 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.9 tttt -68.12 -47.69 67.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.464 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 tp -61.48 -42.01 98.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.455 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.61 -45.55 93.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.447 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -56.89 -47.61 80.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.661 175.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 85.2 mt -66.05 -39.54 90.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.377 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.14 -50.23 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.052 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.26 -50.7 70.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.74 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.462 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -64.66 -45.49 86.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.775 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.88 79.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 0.0 111.115 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 46' ' ' LYS . 90.1 mt -63.82 -41.68 97.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.788 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HG2' HD11 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -62.83 -39.02 93.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -72.36 -40.5 67.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.556 0.217 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 -33.16 72.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.39 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.94 -40.37 96.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.342 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -58.93 -38.73 79.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.409 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.64 -38.26 59.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.88 -32.26 73.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -29.81 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.61 -21.64 28.36 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.334 0.588 . . . . 0.0 110.312 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.55 29.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.903 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.952 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.1 mt -56.02 167.86 0.79 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.732 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.952 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 10.77 20.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.489 1 C-N-CA 127.41 5.407 . . . . 0.0 119.136 -153.176 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 33' ' ' LEU . 6.3 m -103.6 -55.86 2.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 167.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 28.85 13.2 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.524 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' HA ' HG13 ' A' ' 40' ' ' ILE . 9.3 p-90 -60.2 -25.21 65.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.83 -14.95 60.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 110.137 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 33.8 ttt180 -105.87 1.82 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.316 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.594 HG13 ' HA ' ' A' ' 37' ' ' TRP . 77.5 mt -54.07 -51.63 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.93 -24.91 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.54 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 32.9 tt0 -62.29 -62.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.13 0.491 . . . . 0.0 110.354 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.85 -32.13 56.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.626 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.65 84.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.08 -50.18 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.216 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -59.4 -45.03 92.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.637 -175.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.8 m -63.77 -44.35 93.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.15 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.57 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.6 tm-20 -65.96 -41.28 91.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.671 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.18 95.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.72 0.295 . . . . 0.0 111.167 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 24.3 m-85 -74.77 -29.15 61.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -71.41 -39.42 71.13 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.39 -34.73 74.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.038 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 58.1 tp -60.1 -43.85 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.734 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.24 -40.08 86.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.576 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.708 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 24.4 mm-40 -57.91 -37.18 73.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -67.85 -44.15 77.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.276 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 24.8 mtm180 -61.32 -44.18 97.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.463 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.708 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 17.4 ptmt -70.02 -32.83 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.892 0.377 . . . . 0.0 110.989 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 m -75.75 -42.08 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.274 179.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.24 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -73.5 -47.42 41.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.673 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.13 -31.94 66.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.86 -38.89 92.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.199 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -65.4 -40.13 93.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.378 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.26 96.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.385 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -50.73 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.02 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 65.0 tp -60.68 -41.62 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.717 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.57 -49.27 76.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -62.09 -36.09 80.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.865 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.62 -41.68 68.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.17 -51.58 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.375 . . . . 0.0 110.17 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.463 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 27.3 tt0 -67.58 -50.75 56.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.21 89.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.88 -42.35 97.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.588 ' HA ' ' HE2' ' B' ' 24' ' ' MET . . . -65.53 -41.84 92.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 78.4 mt -69.94 -31.14 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -66.48 -47.36 73.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.588 ' HE2' ' HA ' ' B' ' 21' ' ' ALA . 27.3 ptt? -69.83 -33.66 72.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.492 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.98 -45.99 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.17 -43.29 98.66 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.62 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 66.4 t60 -59.46 -44.59 92.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.484 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -43.09 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.045 177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' B' ' 40' ' ' ILE . 45.2 tp -66.18 -34.56 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.86 95.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 6.6 pt-20 -86.38 -21.48 27.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.195 0.521 . . . . 0.0 111.443 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -83.52 18.09 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.966 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.0 mt -48.88 173.38 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.966 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.45 19.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.388 1 C-N-CA 126.349 4.699 . . . . 0.0 117.945 -144.583 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.614 ' H ' ' C ' ' B' ' 33' ' ' LEU . 5.4 m -130.47 154.54 47.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 159.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.37 9.47 17.15 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.815 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.617 ' HA ' HG13 ' B' ' 40' ' ' ILE . 24.8 p90 -55.75 -25.9 43.04 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.11 0.455 . . . . 0.0 111.614 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -72.05 -16.06 62.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' B' ' 43' ' ' VAL . 45.3 ttt180 -107.78 3.08 24.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.533 -176.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.617 HG13 ' HA ' ' B' ' 37' ' ' TRP . 61.7 mt -56.79 -51.59 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.1 ttm -66.21 -35.75 81.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.44 ' HG2' ' HE3' ' B' ' 46' ' ' LYS . 34.2 tt0 -60.86 -60.05 4.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.821 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.463 HG23 ' HG2' ' B' ' 39' ' ' ARG . 48.9 t -61.33 -43.52 96.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.112 -177.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.67 80.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.315 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.28 -43.12 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.26 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.44 ' HE3' ' HG2' ' B' ' 42' ' ' GLU . 96.3 mttt -56.73 -50.08 73.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 9.6 m -63.83 -41.9 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.052 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -65.25 -46.82 79.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.872 0.368 . . . . 0.0 110.649 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.5 tp10 -61.5 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . -61.09 -47.15 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -61.81 -42.86 99.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 1.1 ppt_? -66.06 -33.11 75.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -76.1 -34.35 59.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.581 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 50' ' ' ALA . 73.9 mt -62.39 -49.57 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.095 0.474 . . . . 0.0 109.818 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.452 ' CG ' ' HZ1' ' B' ' 59' ' ' LYS . 20.2 t70 -59.81 -43.04 94.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.324 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.2 -54.72 39.71 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.508 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 91.7 t80 -59.94 -39.9 87.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.228 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -61.72 -38.36 87.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.168 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.452 ' HZ1' ' CG ' ' B' ' 55' ' ' ASP . 0.9 OUTLIER -73.88 -42.85 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 177.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m -64.51 -48.5 74.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.679 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.968 -177.303 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.53 -55.16 12.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 111.271 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.72 -29.76 67.22 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.542 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.3 -48.88 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -61.68 -44.33 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.41 98.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.245 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -73.7 -45.23 53.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.283 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.15 -42.76 86.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -53.32 -51.21 63.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.526 . . . . 0.0 110.66 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 13.2 tppt? -60.49 -49.5 77.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.256 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 54' ' ' LEU . 93.2 mt -65.82 -42.16 90.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.266 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.67 -45.22 93.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.82 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.859 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.94 -42.85 94.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.963 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.39 92.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.799 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -64.57 -37.01 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.29 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mm? -67.43 -31.67 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.255 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.632 ' HG2' HD13 ' B' ' 33' ' ' LEU . 12.8 tmtt? -56.78 -44.82 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 0.0 109.673 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 44.0 ttp -75.47 -42.42 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.274 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.51 -40.95 89.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.535 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.72 -38.42 90.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 25.8 t-80 -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.93 -41.7 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 111.247 -177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.6 tp -74.05 -29.05 61.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 110.931 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 7.0 mm-40 -80.83 -45.41 16.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.096 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -90.49 49.3 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.808 0.813 . . . . 0.0 110.529 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.829 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.9 mt -67.37 171.17 5.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.431 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 29.0 Cg_exo -3.06 121.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.495 0 C-N-CA 125.001 3.801 . . . . 0.0 115.338 -136.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m 160.99 -51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.206 -2.725 . . . . 0.0 106.147 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.0 24.99 9.09 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.188 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' HA ' HG13 ' A' ' 40' ' ' ILE . 52.7 p-90 -58.39 -24.59 60.41 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.3 0.64 . . . . 0.0 112.128 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -63.87 -24.11 67.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.056 0.455 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -104.2 5.75 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.351 -174.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 37' ' ' TRP . 64.6 mt -55.72 -51.12 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.236 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.522 ' HE2' ' HA ' ' B' ' 45' ' ' GLU . 60.0 tpp -56.0 -45.64 78.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.002 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.503 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.8 tt0 -56.97 -54.92 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.92 -44.83 91.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.713 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.937 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.74 -47.57 85.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 54.6 mtmt -66.47 -30.57 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.227 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' HD2' ' A' ' 51' ' ' TYR . 61.0 m -68.32 -50.19 55.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.915 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -67.63 -37.77 82.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.179 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 9.6 pt-20 -58.34 -45.6 87.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.659 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -65.94 -47.03 76.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.566 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' HD2' ' O ' ' A' ' 47' ' ' THR . 47.4 m-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 16.4 tpp180 -60.75 -55.24 35.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.689 175.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 12.9 mm-40 -59.34 -37.64 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.557 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HA ' HD11 ' A' ' 15' ' ' LEU . 65.6 tp -60.51 -51.41 69.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.557 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 38.1 t70 -68.43 -38.89 81.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.528 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 57.1 mm-40 -55.96 -48.72 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 176.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -61.65 -41.21 97.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.295 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HD3' ' HA ' ' A' ' 55' ' ' ASP . 65.1 mtp180 -63.77 -37.8 88.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.585 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 32.1 mmtp -74.14 -39.87 62.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.442 . . . . 0.0 110.816 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -61.7 -50.0 74.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.196 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.408 -175.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.194 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.76 -55.35 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.566 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.16 -35.53 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.45 ' O ' ' HE2' ' B' ' 57' ' ' PHE . 50.2 mt -63.57 -42.4 98.32 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.358 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -71.49 -36.71 71.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.35 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.84 91.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -62.47 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.66 -40.52 87.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.25 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.66 -47.91 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.569 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' B' ' 14' ' ' LYS . 14.4 tppt? -56.56 -49.73 73.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.247 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.55 -43.82 98.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.229 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.39 84.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.79 -43.25 99.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.466 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.552 ' HB2' ' CE1' ' B' ' 51' ' ' TYR . . . -64.22 -35.76 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.8 m -71.57 -34.51 70.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.164 0.507 . . . . 0.0 110.402 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.63 84.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HA ' ' HB3' ' B' ' 25' ' ' ASP . 95.8 mt -70.6 -26.85 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.505 ' HE3' HD12 ' A' ' 33' ' ' LEU . 1.3 tmtp? -57.25 -50.84 71.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.75 -27.58 58.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.981 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.423 ' HB3' ' HA ' ' B' ' 22' ' ' LEU . 24.6 t0 -64.97 -48.36 74.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.31 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.24 -38.28 78.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.739 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -59.45 -46.54 88.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.85 -38.39 88.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.466 HD21 HG22 ' B' ' 43' ' ' VAL . 58.8 tp -66.01 -37.11 85.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.32 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.212 0.529 . . . . 0.0 110.61 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.03 -22.39 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.97 6.45 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.516 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.994 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.4 mt -41.54 171.37 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.59 1.156 . . . . 0.0 114.034 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.994 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 19.84 20.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 1 C-N-CA 126.089 4.526 . . . . 0.0 117.93 -144.506 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.597 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.3 m -138.34 153.25 48.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 162.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.72 8.44 2.87 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.425 -0.417 . . . . 0.0 113.968 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -60.67 -19.22 57.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 112.195 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -72.73 -22.84 60.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.069 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.66 -12.13 59.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.807 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.461 ' HA ' HD22 ' B' ' 29' ' ' LEU . 52.2 mt -52.47 -45.94 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.719 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.6 ' HA ' ' HE3' ' B' ' 41' ' ' MET . 25.9 mmt -59.96 -45.7 91.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.984 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.465 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 34.1 tt0 -63.86 -55.45 22.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.466 HG22 HD21 ' B' ' 29' ' ' LEU . 40.6 t -60.42 -44.65 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.272 -177.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.61 99.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.522 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 29.9 tt0 -61.25 -48.72 80.16 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.169 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.1 mtmt -56.93 -48.63 77.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -58.94 -47.5 84.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.14 -49.31 70.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -58.92 -36.95 75.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.664 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.2 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.188 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' B' ' 19' ' ' ALA . 22.5 m-85 -65.88 -31.46 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.977 0.417 . . . . 0.0 110.766 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.13 -55.61 20.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.521 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.41 83.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.588 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.48 -49.85 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.503 ' HA ' ' HB3' ' B' ' 58' ' ' ARG . 29.1 t70 -68.76 -29.05 67.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.33 -50.24 66.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.672 0.272 . . . . 0.0 110.887 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.45 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 10.3 t80 -72.15 -28.26 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.503 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 69.2 ttt180 -58.52 -51.23 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 172.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 58.4 mmtt -55.93 -46.45 78.49 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -60.21 -59.62 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.009 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.234 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.66 -49.66 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 0.0 110.116 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.64 -36.85 85.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.159 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.69 -48.02 81.12 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.605 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -62.36 -43.57 98.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.449 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.91 85.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.833 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.18 -48.88 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 61.6 tp -60.97 -40.32 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -57.55 -44.25 85.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.302 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -59.06 -50.75 72.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.998 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -37.81 88.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.101 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -57.08 -52.36 65.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.44 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.6 -50.25 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.131 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.96 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.324 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.419 HG22 ' HE3' ' A' ' 24' ' ' MET . 31.7 m -69.37 -38.7 78.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.851 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.43 94.22 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.302 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.1 mm? -72.5 -39.4 67.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -52.75 -55.43 22.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.419 ' HE3' HG22 ' A' ' 20' ' ' THR . 22.3 ptp -67.74 -29.89 69.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.15 -52.55 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.032 0.444 . . . . 0.0 109.862 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.41 ' HB2' HG11 ' A' ' 43' ' ' VAL . 58.6 tp -64.49 -35.65 81.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.161 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 35.8 t-80 -54.43 -57.69 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.26 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -71.19 -26.35 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.512 -175.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.4 tp -66.2 -45.38 81.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.896 0.379 . . . . 0.0 110.06 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.536 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . . . -75.49 -26.88 58.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.362 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 4.0 mm-40 -57.76 -45.65 85.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.833 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.47 76.61 1.04 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.496 0.665 . . . . 0.0 109.274 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD13 ' HG3' ' B' ' 23' ' ' LYS . 5.3 mt -64.55 178.75 0.43 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.115 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.719 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 4.6 Cg_exo 7.21 122.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.875 1 C-N-CA 125.628 4.219 . . . . 0.0 115.96 -129.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 34' ' ' PRO . 1.1 p 153.72 128.62 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 110.383 -3.099 . . . . 0.0 104.823 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.94 16.26 2.86 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.606 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' HA ' HG13 ' A' ' 40' ' ' ILE . 18.6 p90 -61.34 -18.56 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.306 0.553 . . . . 0.0 111.869 -177.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.459 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 27.7 t-20 -68.57 -23.86 64.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.639 0.733 . . . . 0.0 109.761 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -95.84 3.89 53.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.668 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' ' 37' ' ' TRP . 24.0 mt -55.66 -43.18 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.41 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.524 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 1.4 mmt -56.89 -46.29 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.978 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -58.88 6.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.993 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 26' ' ' LEU . 22.1 t -58.1 -45.5 88.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.279 -177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.6 98.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.085 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.96 -47.9 78.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.19 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -60.99 -41.88 97.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.127 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.0 m -61.3 -49.73 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.98 -42.82 89.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.851 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.04 -54.67 44.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.734 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.93 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.284 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.96 -41.18 87.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.04 -49.91 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.139 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -54.72 -39.18 67.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.878 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.48 -50.01 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 109.948 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 29.1 t70 -65.71 -32.95 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -71.17 -36.97 72.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.891 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 61.2 t80 -67.24 -35.38 79.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HA ' HG21 ' A' ' 61' ' ' THR . 12.6 ttm180 -60.78 -42.21 97.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.684 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.5 mmtm -54.13 -48.89 70.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.392 0.615 . . . . 0.0 109.516 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.4 m -62.32 -53.38 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.913 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 58' ' ' ARG . 14.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.449 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.32 -46.46 60.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.56 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.52 -49.08 71.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.509 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.632 HD11 HG22 ' B' ' 61' ' ' THR . 3.6 tt -57.08 -51.2 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.905 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.17 -45.93 82.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.9 85.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.74 -45.21 68.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.72 -42.1 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.321 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.16 -52.14 66.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.63 -45.93 92.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.135 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HB3' ' CD2' ' B' ' 54' ' ' LEU . 88.7 mt -67.31 -45.01 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.715 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -61.29 -44.77 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.11 89.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.52 -44.6 86.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -27.45 68.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.936 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 55.1 m -75.09 -46.09 36.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.711 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' B' ' 24' ' ' MET . . . -60.33 -53.67 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.612 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -65.22 -31.38 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.354 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.778 ' HG3' HD13 ' A' ' 33' ' ' LEU . 7.6 ttpm? -63.76 -44.22 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.279 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 23.9 ptp -72.04 -34.53 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.835 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -50.31 65.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.889 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.37 -40.71 95.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.49 -51.07 71.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.481 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.02 -32.73 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.16 -40.09 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.6 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.841 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.35 -27.86 63.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.272 0.558 . . . . 0.0 110.895 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.58 -22.16 59.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.035 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.41 25.99 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.195 0.521 . . . . 0.0 110.373 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.3 mt -45.86 174.76 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.409 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 24.05 21.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.424 1 C-N-CA 125.789 4.326 . . . . 0.0 117.787 -146.413 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -126.67 136.0 51.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 159.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.24 21.12 63.79 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.51 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.501 ' HA ' HG13 ' B' ' 40' ' ' ILE . 41.5 p90 -58.32 -22.83 54.53 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -65.49 -21.63 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.902 -0.499 . . . . 0.0 110.548 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -92.48 -2.85 55.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.501 HG13 ' HA ' ' B' ' 37' ' ' TRP . 69.5 mt -53.5 -51.9 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.645 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 86.4 mtp -72.1 -44.69 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.602 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 30.1 tt0 -61.36 -46.96 88.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.809 0.337 . . . . 0.0 110.772 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.2 -42.19 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.285 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.47 93.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.992 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' B' ' 41' ' ' MET . 79.5 mt-10 -53.2 -57.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.098 0.475 . . . . 0.0 110.783 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' B' ' 42' ' ' GLU . 11.9 mptt -66.07 -35.86 81.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.041 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' B' ' 22' ' ' LEU . 39.2 m -64.91 -50.73 65.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.459 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 62.2 t80 -66.58 -41.07 89.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 9.9 tp10 -53.67 -52.34 60.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.05 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.74 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.93 -29.51 69.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.619 0.247 . . . . 0.0 111.662 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.96 -47.1 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 109.985 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 49' ' ' GLU . 87.6 mm-40 -59.92 -38.46 82.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.731 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 2.1 mm? -59.83 -48.59 81.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.79 175.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.96 -50.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.72 -41.61 97.86 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 120.932 0.396 . . . . 0.0 110.69 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.75 -46.15 91.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.832 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -63.31 -34.73 78.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.342 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -69.91 -41.35 74.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -67.59 -43.4 80.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.182 0.515 . . . . 0.0 109.942 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.632 HG22 HD11 ' B' ' 8' ' ' LEU . 98.4 m . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.91 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.117 0.484 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.17 -53.44 55.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.62 -34.62 77.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.901 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -51.74 63.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.059 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -69.45 -34.77 74.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.085 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.37 85.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 82.7 tttt -67.93 -42.01 81.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.889 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.55 -42.06 99.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.203 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.67 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -52.87 -48.17 67.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.08 0.466 . . . . 0.0 110.527 175.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.15 -54.9 41.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.214 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 54' ' ' LEU . 98.4 mt -64.53 -42.12 95.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.836 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -60.98 -46.0 92.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.472 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.32 92.89 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.68 -47.34 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.31 87.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 m -67.37 -40.35 85.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.84 83.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.053 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -70.02 -31.9 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG3' HD12 ' B' ' 33' ' ' LEU . 39.6 ttmt -55.73 -48.81 74.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -68.22 -37.6 81.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.756 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.63 -50.75 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.394 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.77 -40.89 83.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' B' ' 31' ' ' GLU . 21.1 t60 -60.47 -42.83 97.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.491 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.88 -42.56 85.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.44 -36.08 76.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.091 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.26 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.158 0.504 . . . . 0.0 110.676 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.59 -40.57 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.388 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.38 65.36 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.015 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.885 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -65.97 172.9 2.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.677 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.885 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 13.53 -166.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 125.898 4.399 . . . . 0.0 116.595 -141.132 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.0 m 72.39 -56.3 0.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.158 -166.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.32 25.37 12.51 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.211 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' HA ' HG13 ' A' ' 40' ' ' ILE . 21.8 p90 -56.64 -25.51 53.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.046 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.26 -25.61 67.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.615 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG2' HG23 ' A' ' 43' ' ' VAL . 49.3 ttt180 -106.13 4.33 28.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.971 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.55 HG13 ' HA ' ' A' ' 37' ' ' TRP . 69.3 mt -53.52 -51.27 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.632 0.253 . . . . 0.0 111.68 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.586 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 52.8 ttm -68.56 -43.56 76.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.955 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.96 -47.92 79.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.528 HG23 ' HG2' ' A' ' 39' ' ' ARG . 89.4 t -62.26 -48.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.51 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.91 74.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.661 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 41' ' ' MET . 74.3 mt-10 -50.71 -60.75 2.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 122.877 0.471 . . . . 0.0 111.35 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.34 -28.16 62.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.02 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 m -62.42 -54.26 42.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -65.29 -44.65 87.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.43 -32.72 70.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.74 -52.74 40.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.578 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -59.83 -39.5 85.31 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.868 0.366 . . . . 0.0 110.603 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.05 -56.03 27.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.828 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.99 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.557 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.0 tt -63.2 -48.24 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.824 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.467 ' HA ' ' HB3' ' A' ' 58' ' ' ARG . 37.8 t70 -71.81 -31.25 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.651 0.263 . . . . 0.0 111.077 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.28 -41.9 93.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.37 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.547 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 49.7 t80 -69.58 -38.32 77.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.527 175.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 45.0 ttt180 -57.23 -46.23 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.18 175.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -59.03 -48.96 79.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.63 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -60.91 -45.12 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.803 -178.619 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.49 -56.19 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.763 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.45 -32.98 70.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.21 -36.63 82.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.33 -47.94 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.291 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.29 93.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.729 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -52.95 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.358 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.333 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.5 -47.05 80.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -60.83 -51.16 70.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.732 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 54' ' ' LEU . 79.4 mt -65.68 -45.24 83.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.707 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.0 111.09 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.75 -40.56 72.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.724 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.05 -44.27 85.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.6 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.041 0.448 . . . . 0.0 110.881 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -67.2 -38.4 85.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.64 79.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.51 HD13 ' HE3' ' B' ' 46' ' ' LYS . 3.6 mm? -63.14 -26.5 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.486 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -55.69 -54.9 38.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.857 0.36 . . . . 0.0 110.656 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.12 -24.41 58.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.34 -36.66 68.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.036 0.446 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.425 ' HA ' HG12 ' B' ' 43' ' ' VAL . 64.6 tp -81.19 -45.5 16.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.16 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -50.97 -54.82 21.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.88 -25.53 59.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.946 -173.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.88 -40.74 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.035 0.445 . . . . 0.0 110.201 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -74.81 -25.13 58.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.531 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 39.5 tt0 -78.05 -43.71 28.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.691 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.12 27.23 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.752 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.772 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.0 mt -40.8 169.5 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.772 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 5.3 Cg_exo 2.63 122.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.624 0 C-N-CA 125.08 3.854 . . . . 0.0 115.609 -131.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.604 HG21 ' O ' ' B' ' 34' ' ' PRO . 1.4 p 175.15 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 111.411 -2.631 . . . . 0.0 106.55 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.61 43.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.372 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.467 ' H ' ' HE3' ' B' ' 37' ' ' TRP . 5.7 p90 -55.26 -27.57 47.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.052 0.541 . . . . 0.0 111.725 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.45 -26.03 67.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.511 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -88.82 -3.49 58.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.332 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.45 -44.24 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.08 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 95.5 mmm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.83 -53.29 59.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.351 0.596 . . . . 0.0 110.132 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.458 ' HA ' ' HE2' ' B' ' 46' ' ' LYS . 40.9 t -64.54 -42.83 96.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.887 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.86 79.34 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.962 0.41 . . . . 0.0 110.357 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.78 -57.8 11.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.716 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.51 ' HE3' HD13 ' B' ' 22' ' ' LEU . 50.4 mtmt -58.88 -50.51 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.619 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -66.13 -46.52 77.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.538 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.01 -44.97 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.11 -48.42 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.852 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.07 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.485 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.6 m-85 -66.4 -40.67 89.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -61.49 -48.73 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.6 -37.45 84.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' B' ' 15' ' ' LEU . 66.4 tp -59.13 -49.73 76.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.591 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.653 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 27.2 t70 -67.93 -41.94 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.9 -45.1 94.1 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.652 0.263 . . . . 0.0 111.547 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -61.43 -37.24 82.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.514 ' HA ' HG23 ' B' ' 61' ' ' THR . 0.0 OUTLIER -64.69 -35.76 82.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.727 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.5 mmtt -63.53 -49.79 72.1 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.219 0.533 . . . . 0.0 109.629 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -62.23 -38.71 90.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.749 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.514 HG23 ' HA ' ' B' ' 58' ' ' ARG . 14.8 t . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.343 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.51 -45.33 83.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.405 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.99 -36.76 75.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.051 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 3.7 mm? -57.66 -48.75 78.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.391 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -66.15 -40.19 90.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.98 0.419 . . . . 0.0 110.873 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -66.71 -46.57 75.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.889 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.745 HD23 HG21 ' A' ' 61' ' ' THR . 54.1 tp -59.01 -44.48 91.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.856 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.85 -51.65 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.696 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 22.2 ttmm -57.43 -49.64 75.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.808 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.03 -42.06 97.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.678 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 26.2 t-20 -60.6 -50.9 71.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.014 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.54 91.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.21 -47.74 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.21 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.7 m -60.34 -45.6 92.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.184 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.35 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.152 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.326 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.724 ' HG3' HD13 ' B' ' 33' ' ' LEU . 34.3 ttpt -66.42 -44.81 81.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.78 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.28 -48.7 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -63.26 -35.78 81.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.75 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.92 -38.98 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.89 -34.44 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.792 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' B' ' 27' ' ' HIS . . . -70.39 -25.55 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.501 . . . . 0.0 110.533 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.614 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.99 76.06 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 0.0 109.762 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.856 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.1 mt -87.66 171.03 10.38 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.084 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.856 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 8.9 Cg_exo -3.65 121.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.782 0 C-N-CA 125.006 3.804 . . . . 0.0 115.399 -136.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 175.32 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 111.065 -2.789 . . . . 0.0 106.194 -178.263 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.85 32.83 5.17 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.967 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.505 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.2 p-90 -56.51 -21.79 28.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.21 -32.01 71.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.085 0.469 . . . . 0.0 109.97 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 43' ' ' VAL . 39.7 ttt-85 -78.69 -7.89 58.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.627 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.505 HG13 ' HA ' ' A' ' 37' ' ' TRP . 35.5 mt -52.91 -41.94 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.044 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' B' ' 45' ' ' GLU . 97.1 mmm -65.86 -51.53 58.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 1.5 mp0 -55.54 -44.8 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.604 -177.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 39' ' ' ARG . 51.7 t -66.27 -53.28 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.349 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.31 71.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.33 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' MET . 47.7 mt-10 -58.59 -57.29 13.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.203 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.548 ' HE3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -73.97 -29.3 61.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.234 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.9 m -66.15 -51.45 57.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.416 0.151 . . . . 0.0 111.002 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -64.6 -48.85 73.39 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.565 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 57.9 mm-40 -59.62 -32.19 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -47.83 60.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.646 0.26 . . . . 0.0 110.513 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.25 -33.65 73.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 14.6 ptm180 -66.64 -41.59 88.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.279 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -37.49 70.91 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 16' ' ' ASN . 6.3 tt -57.52 -51.65 68.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.991 176.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 24.9 t70 -66.84 -35.35 79.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.658 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.77 -48.41 77.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.749 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 2.4 t80 -65.4 -36.25 83.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 58.5 ttt180 -56.41 -51.46 68.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.234 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -69.34 -32.04 70.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -178.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 m -68.59 -48.44 64.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.745 HG21 HD23 ' A' ' 12' ' ' LEU . 9.7 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.045 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.5 -50.68 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.43 -39.42 94.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.949 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.19 -51.5 66.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.31 -41.55 98.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.685 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.818 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.32 -44.94 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.2 tp -54.75 -46.23 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.891 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -55.03 -49.67 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.773 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -63.64 -48.3 77.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.193 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HG ' ' NE2' ' B' ' 53' ' ' GLN . 4.0 mm? -68.25 -38.08 81.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.575 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.95 -46.42 90.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.04 90.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.58 -51.81 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.872 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.63 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.998 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -62.43 -45.91 90.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.285 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -48.98 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.328 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 22' ' ' LEU . 4.4 mm? -62.69 -36.85 84.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.772 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.536 ' HG2' HD11 ' A' ' 33' ' ' LEU . 39.1 ttpt -56.0 -55.06 37.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 111.229 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 44.1 mtt -75.51 -28.44 59.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.97 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.87 -39.91 94.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.3 -39.01 93.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.497 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 19.1 t-80 -57.17 -51.93 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.676 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -26.17 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.3 -38.48 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.111 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.813 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.4 -26.64 66.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.0 110.614 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -74.41 -22.1 59.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.71 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -113.7 24.65 11.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.686 0.755 . . . . 0.0 110.192 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 1.009 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.6 mt -53.95 169.0 0.38 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.568 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 1.009 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 12.45 19.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 1 C-N-CA 127.403 5.402 . . . . 0.0 119.208 -150.367 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.551 ' H ' ' C ' ' B' ' 33' ' ' LEU . 20.2 m -100.2 -53.6 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 165.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.82 37.35 3.87 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.478 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.691 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 8.4 p-90 -68.3 -7.81 34.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.945 0.403 . . . . 0.0 111.718 -176.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -77.3 -8.34 57.47 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.754 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -101.74 -7.72 22.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.593 HG13 ' HA ' ' B' ' 37' ' ' TRP . 64.0 mt -52.11 -54.01 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 81.7 mtp -77.95 -31.74 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -57.82 7.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.37 -48.03 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.616 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.96 91.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.386 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.5 tt0 -58.08 -55.03 40.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.393 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.573 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -63.64 -35.87 81.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.001 -178.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 71.4 m -60.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.01 -44.09 85.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 56.4 mt-10 -54.24 -46.08 72.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.001 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.308 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.469 ' HH ' ' HB2' ' B' ' 23' ' ' LYS . 41.8 m-85 -67.04 -37.47 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 111.406 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -64.04 -52.02 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.455 ' NE2' ' HG ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -66.19 -32.65 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.11 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 51.5 tp -60.99 -43.94 98.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.491 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -68.62 -38.22 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -61.62 -42.03 98.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 110.296 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.53 -47.08 86.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.595 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.528 ' HA ' HG22 ' B' ' 61' ' ' THR . 21.8 mtp180 -68.71 -25.76 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.372 0.606 . . . . 0.0 110.79 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.24 -42.1 60.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.03 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -70.78 -36.68 73.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.905 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.528 HG22 ' HA ' ' B' ' 58' ' ' ARG . 6.6 t . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.145 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -62.25 -52.96 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.841 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.2 -42.27 90.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.46 -51.24 70.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.83 -178.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -71.81 -32.77 67.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.93 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.01 76.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.945 0.403 . . . . 0.0 110.806 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HG2' HD22 ' A' ' 15' ' ' LEU . 33.3 tttp -74.94 -39.49 61.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.14 -40.18 84.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.327 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -52.37 -48.9 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.32 -52.84 43.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.378 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 54' ' ' LEU . 4.3 mm? -61.5 -40.35 94.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.768 -176.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -62.17 -52.72 62.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.437 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.72 96.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.935 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.02 -51.09 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.742 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -61.2 -45.34 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.451 HG23 ' HE1' ' A' ' 24' ' ' MET . 88.2 m -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.523 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -54.94 41.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.067 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.1 mm? -64.98 -37.58 88.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.647 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HE2' ' HE1' ' A' ' 51' ' ' TYR . 33.3 ttmt -55.26 -51.56 66.27 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.451 ' HE1' HG23 ' A' ' 20' ' ' THR . 20.4 ptp -75.43 -38.18 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.59 -45.1 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.971 -174.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.18 -35.3 78.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' HD2' ' HB3' ' B' ' 30' ' ' ALA . 15.6 t-160 -56.29 -50.78 70.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.497 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.21 -32.34 61.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.79 -40.23 96.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 -26.73 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -84.95 -22.93 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -90.71 56.97 3.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.978 0.894 . . . . 0.0 109.663 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.981 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -63.96 168.76 5.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.906 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.981 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 9.98 20.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.392 1 C-N-CA 127.778 5.652 . . . . 0.0 119.685 -154.269 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 33' ' ' LEU . 28.5 m -105.66 -69.07 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 168.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.04 0.78 89.58 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.685 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.681 ' HA ' HG13 ' A' ' 40' ' ' ILE . 6.4 t90 -53.03 -32.92 49.37 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.493 0.717 . . . . 0.0 111.454 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.11 -26.64 39.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.424 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -115.23 2.93 14.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.75 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.681 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.0 mt -57.24 -48.65 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.0 ttm -59.95 -40.67 89.79 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.9 tt0 -65.07 -49.62 69.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.313 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.0 -47.78 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.123 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.26 87.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -56.21 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.554 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.9 mtmt -67.24 -34.1 76.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.651 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.431 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 45.4 m -62.51 -47.75 82.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 110.152 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.6 -47.57 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.198 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.702 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 5.2 mm-40 -62.01 -44.62 96.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.19 98.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.392 . . . . 0.0 110.612 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HE1' ' HE2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -73.07 -38.45 66.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -178.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 2.9 ptm180 -66.92 -37.96 85.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.43 -40.4 77.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.358 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 15' ' ' LEU . 65.8 tp -62.99 -45.1 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.04 -45.38 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -59.87 -43.04 94.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.146 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.81 -42.05 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 110.314 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -66.17 -41.67 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -60.66 -46.8 88.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.296 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -60.31 -50.96 71.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.271 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.045 -177.628 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.65 -55.55 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.419 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.591 ' O ' ' HB2' ' B' ' 11' ' ' LYS . 0.2 OUTLIER -60.78 -40.91 94.34 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.434 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.411 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 2.0 tt -61.12 -46.77 89.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.011 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 1.4 tptm -76.29 -42.47 45.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.289 -175.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.56 81.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.842 0.353 . . . . 0.0 110.341 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' B' ' 7' ' ' GLU . 12.8 tttp -73.53 -43.77 59.16 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.448 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.65 -47.11 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 2.1 tppp? -59.38 -49.07 79.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.483 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -59.85 -51.83 68.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.467 HD22 ' HG2' ' B' ' 11' ' ' LYS . 4.1 mm? -64.17 -42.96 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.052 0.453 . . . . 0.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.6 90.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.764 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.47 -46.54 85.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.62 96.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.8 m -64.7 -33.5 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.55 ' HA ' ' HE1' ' B' ' 24' ' ' MET . . . -65.11 -46.63 80.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.261 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -66.3 -33.15 75.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -54.56 -50.71 67.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.684 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.55 ' HE1' ' HA ' ' B' ' 21' ' ' ALA . 26.4 ptt? -75.06 -32.34 61.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.341 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -45.95 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.645 0.26 . . . . 0.0 110.716 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.446 HD22 HG21 ' B' ' 47' ' ' THR . 49.1 tp -69.65 -43.84 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.466 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 12.7 t-80 -65.47 -39.47 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.119 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.17 -45.05 92.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.201 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 40' ' ' ILE . 20.9 tp -64.12 -36.26 83.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.877 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' HD2' ' A' ' 27' ' ' HIS . . . -66.36 -38.52 87.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.756 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 19.5 mm-40 -73.5 -24.98 60.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.223 0.535 . . . . 0.0 110.242 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -99.22 26.75 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.144 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.943 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.4 mt -42.18 167.84 0.06 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.96 172.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.943 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.4 OUTLIER 8.89 134.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.279 1 C-N-CA 126.624 4.883 . . . . 0.0 116.921 -147.368 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.672 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 63.1 m 96.92 -45.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 113.37 -1.741 . . . . 0.0 109.837 -165.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.424 ' O ' HD11 ' B' ' 29' ' ' LEU . . . -88.44 -5.36 75.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.348 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.672 ' HD1' ' H ' ' B' ' 35' ' ' THR . 41.6 p-90 -65.13 -25.09 67.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.607 -174.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.3 -18.89 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.477 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -98.36 -5.79 32.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.663 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' B' ' 37' ' ' TRP . 47.4 mt -58.76 -51.74 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 46.4 ttm -61.24 -44.59 97.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.52 -48.79 66.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.067 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.69 -47.15 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.338 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.47 89.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.4 -55.84 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.75 -36.96 84.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.379 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.446 HG21 HD22 ' B' ' 26' ' ' LEU . 36.3 m -64.28 -48.05 77.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.774 0.321 . . . . 0.0 110.331 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.5 -46.8 88.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.084 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.85 -48.85 78.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.962 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.91 92.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.322 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.77 -32.12 67.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.475 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 17.6 ttm-85 -67.21 -46.36 74.08 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -63.05 -33.77 76.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.048 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.04 -45.56 80.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.96 98.91 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 39.2 mm-40 -62.93 -43.95 97.4 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.311 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.411 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 57.2 t80 -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -63.04 -47.77 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.991 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -54.66 -46.18 73.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.324 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.7 m -65.7 -50.45 64.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.376 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.252 -174.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.137 0.494 . . . . 0.0 111.513 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.24 -35.52 76.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.919 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 25.0 tp -61.08 -40.8 95.09 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -69.42 -38.25 77.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.73 73.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HE3' HD12 ' A' ' 15' ' ' LEU . 5.0 tmtm? -65.29 -47.37 76.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.534 175.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 60.0 tp -61.93 -40.98 97.37 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -52.46 -49.52 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.57 -50.82 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD12 ' HE3' ' A' ' 11' ' ' LYS . 81.9 mt -64.19 -45.99 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.404 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.65 -50.7 67.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.039 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.1 85.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -66.14 -49.13 68.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.67 96.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.313 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -68.64 -37.14 79.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.111 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -53.27 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -29.83 70.86 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HD2' ' HE1' ' A' ' 51' ' ' TYR . 89.0 tttt -56.58 -43.92 80.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.409 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.782 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 25.5 mmt -76.32 -37.76 56.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.99 -43.98 98.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.461 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.15 -45.1 94.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.188 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -64.38 -38.45 91.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.506 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.18 -42.21 96.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.279 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 40' ' ' ILE . 41.1 tp -63.52 -35.93 82.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.45 85.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -22.16 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -90.01 13.78 13.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.472 0.653 . . . . 0.0 110.701 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.726 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.7 mt -56.71 173.58 0.3 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.841 169.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.726 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 10.53 127.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 124.897 3.731 . . . . 0.0 114.953 -131.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 56.3 m 96.52 -14.62 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 112.688 -2.051 . . . . 0.0 109.72 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.01 27.07 7.6 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.939 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 34' ' ' PRO . 98.1 m95 -71.25 -37.9 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 111.69 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.82 -12.98 61.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.986 0.422 . . . . 0.0 111.622 -169.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -95.69 -9.48 31.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.979 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.507 ' HA ' HD21 ' A' ' 29' ' ' LEU . 48.0 mt -53.76 -51.58 42.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.272 -174.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.501 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 1.0 OUTLIER -58.85 -43.46 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -64.99 -58.57 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.186 0.517 . . . . 0.0 110.771 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.71 -39.28 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.209 -176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.2 94.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.438 0.161 . . . . 0.0 110.797 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' HA ' ' HE3' ' B' ' 41' ' ' MET . 37.3 tt0 -64.6 -56.61 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.87 -47.2 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.196 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 m -67.27 -44.78 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.874 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.85 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.935 0.398 . . . . 0.0 110.387 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 2.9 mm-40 -66.22 -42.4 88.77 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.994 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.34 93.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' HE1' ' HD2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.46 -32.82 74.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.037 0.446 . . . . 0.0 109.832 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 28.5 ttt180 -70.34 -42.78 71.45 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.878 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 27.3 mm-40 -59.83 -32.04 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.318 . . . . 0.0 110.57 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.83 -37.13 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 110.048 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.45 -37.76 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.492 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -55.29 -40.14 70.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 109.777 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 66.8 t80 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.081 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -60.68 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -59.08 -51.63 69.19 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.647 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -62.77 -49.56 74.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.525 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -175.55 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.537 0.208 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -60.61 -49.87 75.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.916 0.388 . . . . 0.0 110.994 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.35 -35.79 80.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.95 -48.43 71.34 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.14 -40.01 93.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.36 90.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.87 -47.83 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.546 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 -42.37 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.94 -50.27 73.12 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.29 -48.66 80.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.416 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.92 -50.99 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.014 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.12 99.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.353 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -61.57 -47.97 83.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.22 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.879 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 39.6 m -60.35 -42.17 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.968 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.19 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -33.28 74.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.436 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' B' ' 23' ' ' LYS . 35.5 ttpt -53.0 -51.27 62.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 0.0 110.551 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -76.1 -35.51 59.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.626 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.02 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.057 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 33' ' ' LEU . 7.4 tt -63.7 -49.75 71.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -66.18 -36.27 82.64 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.85 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.64 -42.45 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.389 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.08 -44.89 83.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.866 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.5 68.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.367 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.3 -25.46 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.251 0.548 . . . . 0.0 110.014 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -98.88 25.22 6.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.357 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.97 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.0 mt -43.83 174.13 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.97 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.04 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.395 1 C-N-CA 126.106 4.538 . . . . 0.0 118.014 -145.323 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.574 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -129.32 134.43 47.91 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 159.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.77 72.51 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.258 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -58.09 -36.73 73.29 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 111.039 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -64.8 -22.39 66.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.533 . . . . 0.0 110.985 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' B' ' 43' ' ' VAL . 18.4 tpt180 -78.15 -16.39 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.442 HD12 HD23 ' B' ' 33' ' ' LEU . 56.6 mt -53.67 -51.79 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.388 -175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.531 ' HE3' ' HA ' ' A' ' 45' ' ' GLU . 55.9 tpp -58.22 -52.77 64.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.399 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.516 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 29.4 tt0 -56.97 -54.21 49.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.483 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' B' ' 39' ' ' ARG . 68.0 t -62.51 -46.89 95.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.2 -53.26 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.873 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.516 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.4 mtmt -67.34 -33.08 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.218 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.1 m -66.73 -44.05 82.57 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.297 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.37 -51.73 67.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.045 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.37 -37.54 78.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.894 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.71 72.14 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -65.96 -35.43 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -60.36 -52.67 64.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.368 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -62.81 -30.94 71.86 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.331 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.921 0.391 . . . . 0.0 110.232 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.37 -42.93 78.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.35 -28.5 68.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 111.32 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.4 -41.35 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -64.08 -38.77 92.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.762 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -55.66 -51.76 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.229 0.538 . . . . 0.0 110.121 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.6 t -59.22 -55.35 36.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.232 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.704 -174.778 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.218 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.336 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.43 -39.04 89.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.569 0.699 . . . . 0.0 109.786 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 24.9 tp -60.58 -51.3 70.01 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -70.04 -36.91 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.081 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.58 90.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -70.95 -40.79 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.879 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.62 -43.11 89.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -53.19 -53.56 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -55.51 -53.14 60.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.749 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.71 -37.94 88.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.01 -47.38 80.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.62 80.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.23 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.378 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.24 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 m -63.86 -38.93 92.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.934 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HA ' ' HE2' ' A' ' 24' ' ' MET . . . -62.79 -36.2 82.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.038 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.7 mm? -81.99 -28.98 32.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.318 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HG3' ' HH ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.07 -43.66 97.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 21' ' ' ALA . 27.2 ptt? -75.2 -26.27 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.755 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.94 -49.34 58.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 109.864 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD21 HD12 ' B' ' 33' ' ' LEU . 66.1 tp -64.01 -42.76 97.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.436 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -59.42 -39.33 83.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.69 -44.09 67.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.59 -32.24 67.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.06 66.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 -44.26 12.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.289 0.566 . . . . 0.0 109.517 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -88.86 66.75 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.839 0.828 . . . . 0.0 109.642 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.4 mt -87.32 171.18 10.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.0 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.835 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 12.4 Cg_exo -2.3 120.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 124.822 3.681 . . . . 0.0 115.323 -136.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 167.82 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.393 -2.64 . . . . 0.0 106.499 -176.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.83 31.72 2.79 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 114.119 -1.401 . . . . 0.0 111.279 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 60.5 p-90 -63.72 -13.89 47.47 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.039 0.536 . . . . 0.0 112.35 -176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.416 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 62.5 t30 -68.18 -20.95 64.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.376 0.608 . . . . 0.0 109.853 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -97.02 4.83 51.28 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.189 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.524 HG13 ' HA ' ' A' ' 37' ' ' TRP . 47.3 mt -57.84 -44.86 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.4 tpp -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.903 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 25.6 tt0 -61.47 -55.35 32.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.286 0.565 . . . . 0.0 110.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.523 HG11 ' HA ' ' A' ' 26' ' ' LEU . 40.7 t -61.06 -39.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.149 -177.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -59.9 -47.06 87.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.042 0.448 . . . . 0.0 110.493 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.61 -50.61 72.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.582 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 43' ' ' VAL . 54.8 mtmt -56.51 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 m -65.17 -43.93 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.4 t80 -68.95 -41.62 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.731 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.55 -49.57 74.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.39 68.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.509 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HH ' ' HG3' ' A' ' 23' ' ' LYS . 7.3 m-85 -66.56 -33.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.766 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HA ' ' CH2' ' B' ' 37' ' ' TRP . 50.4 ttt85 -62.95 -50.6 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.313 175.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 8.5 tp-100 -63.9 -35.65 81.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.382 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.66 -50.25 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.12 -40.0 93.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.75 -37.53 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.901 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.495 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 10.3 t80 -70.67 -35.66 72.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.351 0.596 . . . . 0.0 109.982 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -69.48 -37.89 77.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -56.93 -47.84 79.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.69 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -68.6 -44.26 74.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.003 0.43 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 179.185 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.54 -55.88 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.93 -32.83 65.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 109.636 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -44.17 84.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.108 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.59 -53.66 54.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.018 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.83 88.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.002 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.7 -44.2 64.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.032 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.85 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.73 -48.63 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.288 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -55.75 -54.38 45.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.398 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.517 ' HB3' HD12 ' B' ' 54' ' ' LEU . 4.3 mm? -63.95 -41.39 97.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.543 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.77 -46.01 92.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 109.971 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.06 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.2 -51.18 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.19 85.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -70.29 -39.62 74.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.363 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.42 87.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.11 -32.53 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.654 ' HG3' HD12 ' A' ' 33' ' ' LEU . 86.0 tttt -61.63 -47.81 83.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.189 0.519 . . . . 0.0 110.373 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.55 -38.19 86.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.808 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.66 -40.23 76.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.68 -52.0 65.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.376 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -62.52 -36.2 81.82 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.076 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.9 -45.73 91.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.527 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -75.18 -26.67 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.816 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.92 -26.8 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.261 0.553 . . . . 0.0 109.725 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -107.35 26.7 9.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.184 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.818 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.2 mt -45.25 168.74 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.818 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 11.4 Cg_exo 0.69 122.72 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.691 0 C-N-CA 125.164 3.909 . . . . 0.0 115.804 -134.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m 167.06 -43.13 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 111.165 -2.743 . . . . 0.0 106.052 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.76 33.52 2.46 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.545 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.606 ' HA ' HG13 ' B' ' 40' ' ' ILE . 62.3 p-90 -65.1 -14.54 60.75 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.399 0.68 . . . . 0.0 112.281 -175.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 49.4 t30 -64.19 -23.85 67.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.314 0.578 . . . . 0.0 110.147 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -101.23 3.93 41.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.438 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.606 HG13 ' HA ' ' B' ' 37' ' ' TRP . 70.1 mt -53.21 -52.1 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.681 0.277 . . . . 0.0 111.306 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 53.2 ttm -63.62 -46.2 86.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.701 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.13 -50.23 73.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.43 -50.63 79.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.43 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.413 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.7 mt-10 -55.23 -55.57 29.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.881 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 11.9 mptt -68.04 -32.11 72.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 m -62.46 -45.86 91.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.416 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 54.5 t80 -66.69 -44.19 82.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 46.3 mt-10 -57.55 -47.05 83.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.049 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.43 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.399 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' B' ' 23' ' ' LYS . 28.6 m-85 -66.33 -40.41 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.504 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.32 -51.16 70.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.449 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.67 -35.66 80.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' B' ' 15' ' ' LEU . 64.9 tp -61.93 -47.6 84.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.719 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 11.7 t70 -75.49 -32.98 60.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.505 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.86 -42.69 99.35 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.027 0.442 . . . . 0.0 109.901 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.53 -44.36 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.726 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.1 mmp_? -58.41 -44.24 88.94 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.228 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.0 mmtt -62.26 -51.06 69.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.259 0.552 . . . . 0.0 110.108 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -61.72 -44.48 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.787 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 179.602 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.712 0.291 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.08 -50.89 70.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.78 -38.39 88.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.997 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.5 -51.45 68.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -65.11 -43.1 93.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.915 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.64 83.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -72.33 -44.48 62.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.4 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -43.37 95.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.12 -49.66 77.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.639 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -54.53 -51.29 65.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.395 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -66.95 -37.04 83.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.026 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.47 -47.87 83.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.619 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.36 94.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.942 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.56 -47.87 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.726 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -61.97 -41.35 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.629 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.17 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.63 -28.1 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.312 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 66.5 tttm -59.68 -47.89 83.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -75.32 -24.57 57.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.4 -52.98 18.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 110.298 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.77 -36.98 84.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -52.65 -52.8 54.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.241 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -66.91 -35.34 79.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.745 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.59 -31.7 57.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.34 -39.57 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.58 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.5 pt-20 -72.32 -38.67 68.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 19.2 t70 -105.75 77.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.799 0.809 . . . . 0.0 110.433 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.989 HD12 ' HG3' ' B' ' 23' ' ' LYS . 8.2 mt -79.21 178.1 2.5 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.806 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 2.0 Cg_exo 6.53 122.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.885 1 C-N-CA 126.011 4.474 . . . . 0.0 115.939 -133.044 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 179.58 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.187 -2.733 . . . . 0.0 107.116 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.76 60.56 0.66 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 111.397 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' HE3' ' HA ' ' A' ' 34' ' ' PRO . 12.6 p90 -63.48 -20.67 65.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 111.402 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.525 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 7.3 t30 -70.4 -31.27 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.098 0.475 . . . . 0.0 109.922 176.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.027 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.5 mt -51.76 -50.28 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.476 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.8 ttm -65.36 -40.35 93.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.079 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HG2' ' HD3' ' A' ' 46' ' ' LYS . 26.5 tt0 -62.24 -57.2 12.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.52 -44.08 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.69 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HB3' HG23 ' B' ' 40' ' ' ILE . . . -59.38 -46.59 88.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.295 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.27 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 0.0 110.474 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.52 ' HD3' ' HG2' ' A' ' 42' ' ' GLU . 44.1 mtpt -62.45 -35.92 80.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.916 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.42 ' O ' ' HD1' ' A' ' 51' ' ' TYR . 87.1 m -66.7 -49.59 65.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 60.3 t80 -60.82 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.975 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.43 -34.39 76.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.332 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.52 67.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 47' ' ' THR . 50.0 m-85 -66.3 -32.73 74.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -58.06 -56.54 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.652 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -63.46 -37.37 87.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.228 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.26 -51.97 65.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 36.4 t70 -70.68 -30.82 67.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.275 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.17 -53.16 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.74 -37.58 87.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 61' ' ' THR . 46.5 ttt85 -70.56 -40.48 73.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.719 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.743 ' HZ1' ' HB2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -51.89 -53.85 36.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.362 0.601 . . . . 0.0 110.78 176.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -56.03 -55.54 31.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.302 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 58' ' ' ARG . 11.3 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.736 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.223 -0.324 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.17 -48.56 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 109.968 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.24 -37.29 83.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.477 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.443 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 84.8 mt -63.94 -46.22 85.69 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 12.2 mptt -66.44 -38.61 87.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.85 88.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.502 . . . . 0.0 110.645 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -68.44 -45.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.909 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.7 -42.65 99.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.538 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -58.52 -47.2 84.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 110.561 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -58.61 -47.58 83.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' B' ' 53' ' ' GLN . 9.5 mp -66.83 -41.37 87.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.87 -47.68 84.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.848 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.32 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.323 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -72.9 -46.04 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 110.491 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.203 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 64.8 m -65.68 -37.51 86.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.929 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.42 -49.52 73.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.82 -36.59 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.989 ' HG3' HD12 ' A' ' 33' ' ' LEU . 84.4 tttt -55.79 -55.11 36.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.292 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 22.6 ptm -72.53 -32.24 65.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.46 -43.92 79.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.159 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.82 -43.51 83.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -53.84 -52.61 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.663 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.13 -35.06 79.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.687 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.45 -43.54 66.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.56 -22.41 66.69 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.24 0.543 . . . . 0.0 111.205 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.36 29.72 7.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.638 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' B' ' 30' ' ' ALA . 6.2 mt -40.41 176.68 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.611 ' HA ' ' HB3' ' B' ' 37' ' ' TRP . 0.2 OUTLIER 20.19 -91.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.685 0 C-N-CA 123.646 2.898 . . . . 0.0 113.633 -126.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 32.01 -83.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -167.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 34' ' ' PRO . . . -111.37 47.85 1.0 Allowed Glycine 0 C--N 1.333 0.412 0 N-CA-C 112.276 -0.33 . . . . 0.0 112.276 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.611 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 27.7 p90 -60.99 -21.08 63.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.405 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 66.8 t30 -65.86 -23.44 66.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 0.0 110.27 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -94.43 1.63 55.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.008 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.559 HG13 ' HA ' ' B' ' 37' ' ' TRP . 62.2 mt -56.01 -44.39 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.27 -38.2 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.75 -54.97 38.76 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.045 0.45 . . . . 0.0 110.303 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.9 t -56.69 -49.26 78.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.477 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.53 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.21 -50.45 73.6 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.193 0.521 . . . . 0.0 110.797 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.325 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -69.28 -46.44 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.365 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 74.8 t80 -61.11 -48.31 82.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.58 -47.26 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.422 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.563 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -73.01 -33.72 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.42 -50.91 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' B' ' 15' ' ' LEU . 0.0 OUTLIER -65.41 -34.11 77.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.4 -50.7 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.665 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 31.8 t70 -63.75 -38.03 89.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.799 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' B' ' 59' ' ' LYS . 5.5 mm-40 -69.8 -43.66 71.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.014 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.443 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 66.4 t80 -68.25 -33.44 74.39 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.65 -50.61 71.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.568 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 1.6 ptmm? -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.41 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 30.9 m -61.63 -50.86 70.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.294 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 -177.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.71 0.291 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.03 -45.32 77.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.267 0.556 . . . . 0.0 110.118 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.81 -31.97 71.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.934 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.15 -43.62 98.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.163 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.67 -40.63 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.361 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.44 87.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.777 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.69 -49.61 75.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -57.69 -43.61 85.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.725 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -57.07 -48.41 78.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.479 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -54.81 -49.99 69.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.969 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' HB3' ' HG ' ' A' ' 54' ' ' LEU . 4.0 mm? -68.26 -42.28 79.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.54 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.83 -51.45 69.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.73 97.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.55 -49.84 71.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.27 93.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -72.9 -40.22 65.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.599 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.65 91.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 111.123 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.4 mm? -67.86 -26.64 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.791 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -61.32 -55.65 29.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -67.02 -31.52 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.53 -39.93 85.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.037 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' HB2' HG11 ' A' ' 43' ' ' VAL . 63.3 tp -72.72 -43.55 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.868 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 37.2 t-80 -58.85 -44.82 91.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.44 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 0.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.9 tp -78.19 -37.94 44.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.911 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.79 62.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.523 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 57.7 mt-10 -75.35 -45.57 38.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.724 0.297 . . . . 0.0 110.654 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.38 80.19 2.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.741 0.781 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.676 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -68.96 -179.72 0.58 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 113.965 -1.47 . . . . 0.0 113.675 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.676 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.28 -84.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.586 0 C-N-CA 124.492 3.462 . . . . 0.0 113.961 -130.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m 24.83 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.42 43.43 1.72 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.056 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.473 ' HA ' HG13 ' A' ' 40' ' ' ILE . 49.2 p-90 -54.6 -24.72 22.45 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.882 0.873 . . . . 0.0 112.42 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.443 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 21.0 t-20 -63.04 -25.43 68.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.461 . . . . 0.0 110.587 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 39' ' ' ARG . 43.8 ttt-85 -93.9 -3.22 52.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.378 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG13 ' HA ' ' A' ' 37' ' ' TRP . 62.3 mt -55.64 -43.17 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.526 -177.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -57.45 -44.71 84.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.82 -58.63 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.857 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' A' ' 26' ' ' LEU . 9.9 t -56.8 -44.29 81.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.129 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.04 84.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.731 0.3 . . . . 0.0 111.067 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.2 -49.22 78.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.033 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -67.24 -37.62 83.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.412 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 84.8 m -63.52 -46.73 84.69 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -53.95 52.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.808 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 23.2 mm-40 -58.57 -36.84 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.68 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.77 65.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.767 0.317 . . . . 0.0 111.07 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -72.52 -33.53 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.808 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 8.9 ptm180 -66.57 -41.94 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.094 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -69.08 -40.37 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -59.15 -45.46 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.328 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -67.01 -43.18 83.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.669 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.61 -43.78 97.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.349 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -59.96 -47.77 84.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -60.61 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m -64.57 -43.14 94.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.202 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.389 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.86 -56.52 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.738 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.34 -29.56 65.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.308 0.575 . . . . 0.0 110.185 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.04 -38.41 85.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.739 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -76.07 -32.59 59.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.65 96.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.203 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -62.43 -46.43 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.151 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.186 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.32 -48.04 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -52.95 -46.92 68.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.027 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.82 -43.12 76.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -61.1 -47.61 85.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.27 97.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.5 -48.34 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.498 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.081 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.86 -37.83 82.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.71 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.405 ' HA ' HD11 ' B' ' 22' ' ' LEU . 4.2 mm? -68.43 -31.07 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 86.6 tttt -54.19 -51.27 64.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.751 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 49.4 ttm -75.17 -37.69 61.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.668 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.45 -44.49 90.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.96 -45.92 76.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.793 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 36.4 t-80 -64.11 -41.44 97.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.718 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.13 -41.44 88.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.536 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.88 -38.54 79.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.976 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.12 83.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 40.2 mm-40 -73.19 -22.51 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -113.32 26.15 10.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.7 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.847 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.0 mt -42.48 168.65 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.847 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.6 Cg_exo -0.32 122.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.697 0 C-N-CA 125.108 3.872 . . . . 0.0 115.81 -135.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.668 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 11.0 m 169.79 -60.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 111.505 -2.588 . . . . 0.0 107.24 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.73 26.49 5.66 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.809 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.672 ' CD1' ' HA ' ' B' ' 34' ' ' PRO . 25.1 p-90 -64.32 -10.94 27.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.088 0.555 . . . . 0.0 111.908 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.93 -13.62 61.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.281 0.563 . . . . 0.0 110.085 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -103.73 2.05 32.51 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.802 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 tt -60.97 -35.88 68.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 97.0 mmm -64.76 -51.81 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.648 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.498 ' HA ' ' OE1' ' B' ' 45' ' ' GLU . 29.5 tt0 -57.16 -45.94 83.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.338 0.589 . . . . 0.0 110.878 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.85 -44.96 98.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.451 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.06 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.07 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' B' ' 41' ' ' MET . 57.5 mt-10 -53.99 -57.74 9.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.724 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -40.34 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.349 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.4 m -60.53 -50.43 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.443 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 30.6 t80 -61.66 -48.4 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 33.6 mt-10 -59.35 -44.91 92.61 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.32 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.67 93.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.492 ' HH ' HD13 ' A' ' 33' ' ' LEU . 33.4 m-85 -66.4 -38.84 88.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 110.332 177.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -58.35 -53.2 61.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.582 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 93.5 mt-30 -61.84 -38.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.183 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.48 -49.97 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.5 -43.25 94.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.4 -42.44 99.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.696 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.34 -43.89 96.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.87 0.366 . . . . 0.0 110.014 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.7 mmp_? -61.56 -47.89 83.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.185 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.13 -44.17 97.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.414 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -68.99 -44.91 71.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.242 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -177.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -66.72 -46.77 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.121 0.486 . . . . 0.0 110.368 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.32 -40.16 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.016 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 2.1 tt -58.41 -52.23 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.449 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -64.57 -45.7 85.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.084 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.18 97.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.708 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.1 tpmt? -69.5 -47.02 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.5 tp -57.72 -46.36 84.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.093 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.17 -50.39 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -63.51 -47.09 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.112 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' CD2' ' HE2' ' A' ' 11' ' ' LYS . 3.9 mm? -66.72 -41.19 88.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.423 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -60.09 -45.83 91.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.234 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.71 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.794 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -59.13 -52.17 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -64.07 -41.73 97.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.754 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.69 92.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -37.1 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.77 -38.97 76.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.737 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -75.08 -46.35 35.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.001 0.429 . . . . 0.0 110.52 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.08 -47.62 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.239 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.71 -41.96 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -62.42 -37.46 85.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.407 . . . . 0.0 110.555 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.97 -37.73 61.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.029 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD23 HG23 ' A' ' 43' ' ' VAL . 49.1 tp -69.33 -39.45 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 110.461 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -25.66 68.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.745 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.13 -40.5 59.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.085 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.25 33.39 0.98 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.334 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.985 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.5 mt -53.44 175.08 0.14 Allowed Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.931 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.985 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.66 20.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.353 1 C-N-CA 126.127 4.551 . . . . 0.0 117.983 -146.131 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.56 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -129.21 146.48 51.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 162.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.5 14.36 27.44 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.812 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.51 ' HB2' ' HD2' ' B' ' 51' ' ' TYR . 35.8 p90 -54.06 -24.98 19.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.15 0.58 . . . . 0.0 112.541 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.83 -21.19 66.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -103.74 3.5 34.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.615 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.48 HG13 ' HA ' ' A' ' 37' ' ' TRP . 74.9 mt -58.69 -45.88 90.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.895 0.379 . . . . 0.0 110.486 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.523 ' HE1' ' HA ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -57.52 -48.49 79.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.0 tt0 -58.49 -56.08 26.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.486 HG23 HD23 ' A' ' 29' ' ' LEU . 62.1 t -61.51 -41.73 91.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.64 98.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 110.614 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.26 -49.3 78.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.315 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.4 mtmt -64.02 -37.92 89.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.441 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -67.89 -45.28 74.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 0.0 110.545 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.404 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 86.1 t80 -60.41 -46.58 89.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.74 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 17.6 tp10 -61.11 -39.06 88.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.757 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.34 -54.27 42.92 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.761 176.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -63.35 -40.8 98.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.74 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 5.6 ptm180 -64.22 -42.37 96.6 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 19.4 tp60 -72.07 -33.76 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.428 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 15' ' ' LEU . 2.0 mp -54.48 -51.98 63.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.963 0.411 . . . . 0.0 110.657 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.61 -44.26 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.674 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 30.0 mt-10 -62.1 -38.0 87.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.87 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 82.2 t80 -70.1 -41.81 73.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -64.66 -46.46 82.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.617 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 8.9 ptmt -67.53 -29.39 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.065 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -79.88 -56.54 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.042 0.448 . . . . 0.0 110.626 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.477 HG22 ' HG ' ' A' ' 8' ' ' LEU . 32.3 m . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.44 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.22 -44.52 62.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -57.87 -43.46 86.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.91 -47.27 81.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.843 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.64 -49.4 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.76 92.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.03 -43.32 71.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -65.37 -38.43 90.01 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.799 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -57.91 -44.4 86.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -61.69 -52.22 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.628 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.04 -46.24 90.17 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.523 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.76 -44.45 90.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.876 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.97 90.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.487 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 26.8 tt0 -60.44 -44.55 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.497 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.402 ' HB2' ' HE1' ' B' ' 51' ' ' TYR . . . -62.53 -47.08 85.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.33 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.437 HG21 ' HE1' ' B' ' 24' ' ' MET . 47.3 m -63.53 -38.96 93.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.731 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.37 94.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 94.0 mt -66.04 -42.13 89.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.486 ' HG2' HD12 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -55.63 -43.02 75.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.016 0.436 . . . . 0.0 109.997 176.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.437 ' HE1' HG21 ' B' ' 20' ' ' THR . 68.0 mtt -68.18 -47.41 68.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.03 -39.79 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.507 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.2 -44.92 93.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 0.0 110.3 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.23 -33.4 73.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.65 -42.39 86.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 tp -68.87 -33.68 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -26.75 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.695 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.27 -22.43 28.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.418 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.76 23.55 6.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.981 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.991 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.2 mt -51.8 173.61 0.13 Allowed Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 17.91 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.638 1 C-N-CA 127.169 5.246 . . . . 0.0 119.068 -148.534 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.53 ' H ' ' C ' ' B' ' 33' ' ' LEU . 2.0 p -129.19 132.56 47.31 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 160.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.62 18.18 69.78 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.556 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -57.29 -21.65 36.24 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.181 0.491 . . . . 0.0 111.738 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -63.58 -22.99 67.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -77.74 -18.22 56.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.351 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.93 -48.08 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.59 ' HE2' ' HA ' ' B' ' 41' ' ' MET . 9.3 mmt -60.12 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 111.404 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -67.74 -54.93 15.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.155 0.503 . . . . 0.0 110.427 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.3 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.268 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.17 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.46 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -72.37 -31.46 65.6 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.994 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' B' ' 46' ' ' LYS . 7.7 tppt? -64.22 -49.17 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.841 175.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.404 ' HA ' HD13 ' B' ' 22' ' ' LEU . 56.6 m -62.55 -44.62 95.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.339 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.93 -50.1 74.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.121 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -49.49 76.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 0.0 110.566 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.78 98.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.692 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.51 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 13.2 m-30 -69.02 -44.16 73.29 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.04 -51.69 65.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 110.685 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.61 -29.6 70.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.359 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.97 -46.12 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.717 0.294 . . . . 0.0 110.212 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.98 -43.17 93.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.084 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.94 -35.47 81.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.406 ' O ' HG21 ' B' ' 61' ' ' THR . 78.5 t80 -63.37 -45.05 92.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -47.19 84.79 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -56.03 -49.95 72.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.123 0.487 . . . . 0.0 111.035 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -63.48 -51.24 66.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.071 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.406 HG21 ' O ' ' B' ' 57' ' ' PHE . 11.1 t . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.772 -173.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.836 0.35 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -65.11 -48.5 73.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.425 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.3 mp0 -62.18 -40.77 97.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.135 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 61' ' ' THR . 2.2 tt -60.72 -47.72 85.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.145 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -61.92 -45.48 93.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.976 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.96 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.844 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HE3' ' OE1' ' A' ' 53' ' ' GLN . 1.1 tmtm? -68.17 -49.08 63.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.809 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.14 -39.95 94.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -58.02 -50.61 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.14 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 1.3 tppp? -58.21 -47.05 84.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.142 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 54' ' ' LEU . 78.7 mt -61.51 -46.6 89.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.581 0.229 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.03 -48.57 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 109.931 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.22 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.44 -45.69 91.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.496 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.43 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -72.3 -40.57 67.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HA ' ' HE3' ' A' ' 24' ' ' MET . . . -63.13 -45.65 90.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.945 0.402 . . . . 0.0 110.71 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt -69.01 -31.85 70.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.7 ' HG2' HD13 ' B' ' 33' ' ' LEU . 13.9 tmtt? -63.17 -49.85 72.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.706 ' HE3' ' HA ' ' A' ' 21' ' ' ALA . 27.0 ptt? -70.65 -28.02 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.744 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.99 -41.07 64.69 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD21 HD22 ' B' ' 33' ' ' LEU . 58.2 tp -63.48 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.514 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.49 -43.16 86.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.89 -39.28 88.69 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.552 HD21 HD13 ' A' ' 26' ' ' LEU . 51.7 tp -60.06 -44.56 94.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.288 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.3 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.12 -22.64 48.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.503 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.45 40.21 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.547 0.689 . . . . 0.0 110.772 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.93 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.0 mt -60.45 167.91 2.8 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.547 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.93 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 1.3 Cg_exo 3.69 133.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.376 1 C-N-CA 126.578 4.852 . . . . 0.0 116.745 -148.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.582 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 63.1 m 97.62 -16.8 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 113.481 -1.691 . . . . 0.0 109.452 -163.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.08 11.45 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.665 171.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.5 p-90 -65.14 -27.93 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -79.35 -19.13 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.375 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HD2' HD12 ' A' ' 29' ' ' LEU . 8.6 ttm180 -74.03 -19.01 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.843 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.537 ' HA ' HD23 ' A' ' 29' ' ' LEU . 79.7 mt -55.88 -49.88 72.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.436 -174.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.544 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 1.7 mmt -60.87 -42.98 98.95 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 35.5 tt0 -62.52 -55.67 25.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.06 -49.17 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.99 87.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.995 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HA ' ' HE2' ' B' ' 41' ' ' MET . 2.4 tm-20 -66.09 -53.65 35.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -62.7 -40.41 97.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.713 -177.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 40.0 m -67.09 -47.0 72.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 111.179 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.5 t80 -63.27 -43.48 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.348 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.73 -36.51 84.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.11 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.76 87.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.821 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -63.8 -40.19 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -66.28 -47.05 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.861 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.503 ' OE1' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.06 -35.39 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.498 ' HA ' HD11 ' A' ' 15' ' ' LEU . 52.9 tp -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 0.0 110.377 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 31.6 t70 -68.45 -44.07 75.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.61 -48.86 71.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.453 0.701 . . . . 0.0 111.224 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -66.39 -34.67 78.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -33.51 75.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.989 177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mmtt -69.77 -43.16 72.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 109.921 175.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -60.63 -45.6 93.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.119 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.534 HG23 HD12 ' A' ' 8' ' ' LEU . 54.4 m . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.785 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.94 -53.24 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.446 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -63.68 -37.32 86.9 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.278 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.81 -51.66 68.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.672 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.0 93.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.261 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -75.8 -43.73 44.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.818 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.24 -44.04 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.981 0.419 . . . . 0.0 110.024 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -61.47 -38.85 88.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.772 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.84 -46.85 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.662 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -41.37 96.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.13 -47.65 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.111 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.49 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.03 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.38 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' B' ' 23' ' ' LYS . 51.2 m -73.32 -39.61 65.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.343 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.79 75.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.687 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.13 -28.2 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.648 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' B' ' 20' ' ' THR . 11.2 pttp -69.47 -32.66 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.545 ' HE2' HG21 ' B' ' 20' ' ' THR . 65.7 mtt -69.43 -43.44 73.38 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -47.24 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.662 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.21 -50.17 69.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.523 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 t60 -58.5 -43.66 89.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.05 -38.74 63.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.023 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.506 HD12 ' HA3' ' B' ' 36' ' ' GLY . 38.6 tp -66.27 -37.21 84.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -25.97 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.059 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.22 -22.34 30.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.139 0.495 . . . . 0.0 109.896 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -102.82 24.38 10.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.835 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.997 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -46.89 173.84 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 113.962 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.23 20.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.49 1 C-N-CA 126.163 4.575 . . . . 0.0 117.977 -145.884 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.595 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -128.98 134.84 48.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 159.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' B' ' 29' ' ' LEU . . . 73.01 10.37 77.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.555 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p90 -54.68 -29.52 53.09 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.018 0.527 . . . . 0.0 112.306 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.403 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.2 t-20 -74.96 -18.46 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 110.371 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -102.01 3.09 38.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.39 -50.76 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.956 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' A' ' 45' ' ' GLU . 54.6 ttm -65.65 -34.98 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 33.0 tt0 -59.29 -55.02 40.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.903 0.383 . . . . 0.0 110.928 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.28 -51.85 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.52 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 40' ' ' ILE . . . -54.74 -39.35 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.653 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' B' ' 42' ' ' GLU . 17.8 mt-10 -50.94 -61.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.364 175.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 13.1 mptt -71.43 -33.72 69.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.92 -172.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -63.21 -48.39 78.52 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -67.48 -49.25 64.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.686 0.279 . . . . 0.0 110.998 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.71 ' HA ' ' HG2' ' B' ' 52' ' ' ARG . 30.7 mm-40 -59.8 -35.28 74.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.588 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.68 68.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.38 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.38 -45.15 95.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.48 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.71 ' HG2' ' HA ' ' B' ' 49' ' ' GLU . 2.1 ptm180 -64.59 -41.8 96.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.857 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -72.35 -35.19 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.539 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -49.95 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.6 t70 -67.82 -39.71 83.89 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.817 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -58.69 -48.72 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 111.068 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -63.83 -39.17 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -59.18 -49.68 76.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 25.9 mttm -60.15 -46.45 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.314 0.578 . . . . 0.0 110.48 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -59.17 -56.64 19.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.718 -173.382 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.57 -44.7 64.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.2 0.524 . . . . 0.0 110.267 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -66.02 -34.84 79.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.423 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.64 -48.55 76.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.68 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.98 -47.01 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.729 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.95 86.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.119 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -65.72 -51.58 58.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.93 -42.0 83.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.469 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.78 -50.46 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -60.79 -42.55 97.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.186 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.17 -44.59 79.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -61.07 -44.36 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.216 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.32 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.904 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.91 -46.03 92.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.618 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.05 88.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.54 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 24' ' ' MET . 50.9 m -67.77 -38.24 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.14 92.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.58 -37.48 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.0 -39.7 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.178 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.3 mmt -63.27 -48.89 76.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.963 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.3 -38.79 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.109 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.78 -39.18 90.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -63.86 -37.35 87.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.78 -44.82 84.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 40' ' ' ILE . 58.2 tp -61.4 -30.17 70.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.12 87.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 110.43 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -85.25 -23.17 28.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.631 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 14.3 t70 -94.41 15.9 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.316 -175.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.987 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.2 mt -58.94 169.63 1.06 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.348 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.987 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 14.83 21.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 126.672 4.914 . . . . 0.0 118.68 -151.532 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.528 ' H ' ' C ' ' A' ' 33' ' ' LEU . 14.8 m -113.15 -48.44 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.971 0.415 . . . . 0.0 109.946 169.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.68 40.28 2.58 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.224 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.436 ' HA ' HG13 ' A' ' 40' ' ' ILE . 37.7 p90 -51.53 -25.42 6.66 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -62.59 -18.82 62.91 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 111.052 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -91.51 -13.8 31.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HA ' HD22 ' A' ' 29' ' ' LEU . 63.7 mt -53.25 -52.31 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -171.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.2 ttm -77.3 -34.85 55.42 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.545 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.74 -58.41 6.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.155 0.503 . . . . 0.0 110.641 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.88 -39.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.67 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.479 ' HB1' HG23 ' B' ' 40' ' ' ILE . . . -59.39 -46.73 87.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.01 178.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.81 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 7.1 ttmm -66.25 -39.85 89.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.861 -176.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 m -66.68 -41.76 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.989 0.423 . . . . 0.0 110.272 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -57.03 -52.91 63.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.237 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.08 -46.99 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.758 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.07 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' B' ' 34' ' ' PRO . 32.5 m-85 -73.0 -35.38 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -64.8 -50.83 65.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.407 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.63 -39.51 91.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.418 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.61 -45.09 92.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.067 0.46 . . . . 0.0 110.913 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 t70 -71.39 -46.54 60.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.39 -36.63 80.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.354 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.58 -41.82 91.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.538 174.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.32 -41.79 84.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.242 178.34 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.2 mmtt -60.34 -52.21 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.468 . . . . 0.0 110.098 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 t -59.99 -45.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.567 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 m . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.268 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.994 0.426 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.51 -54.88 41.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.019 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.63 -34.29 77.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 26.4 tp -65.72 -44.17 86.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.442 0.639 . . . . 0.0 110.003 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -71.12 -33.11 69.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.847 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.55 96.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.21 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.91 -49.3 78.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.662 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.53 -42.05 82.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.84 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -55.53 -49.97 71.23 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -55.68 -51.07 68.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.239 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.28 -49.77 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.314 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -56.25 -53.51 56.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.36 95.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.518 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.83 -47.11 79.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.74 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.044 0.45 . . . . 0.0 111.19 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -65.36 -39.59 92.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 22' ' ' LEU . 3.5 mm? -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.309 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.37 -31.33 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.379 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.35 -48.88 71.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.174 0.512 . . . . 0.0 109.954 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.99 -38.98 93.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.79 -42.14 97.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.49 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.35 -46.47 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.694 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.57 -34.08 70.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' B' ' 40' ' ' ILE . 60.8 tp -82.87 -49.86 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.283 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.632 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.75 -35.19 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.6 -22.02 61.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 110.297 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -114.61 25.6 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.988 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.5 mt -44.52 175.68 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.424 1.09 . . . . 0.0 113.285 175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.988 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.98 20.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.175 4.583 . . . . 0.0 117.937 -145.41 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -129.39 145.03 51.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 161.017 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.87 11.91 58.83 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.281 -0.485 . . . . 0.0 113.768 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.625 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.5 p90 -56.5 -24.25 44.97 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -65.37 -21.2 66.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.808 0.337 . . . . 0.0 111.008 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -105.12 4.74 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.374 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.625 HG13 ' HA ' ' B' ' 37' ' ' TRP . 48.9 mt -54.48 -46.42 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.586 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.4 -37.29 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.735 -176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.79 -56.45 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.0 0.428 . . . . 0.0 110.567 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.95 -44.64 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.23 78.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.492 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 44.8 tt0 -56.84 -59.29 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.263 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -64.01 -33.97 76.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.32 -177.557 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -63.08 -43.75 97.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.237 0.541 . . . . 0.0 110.227 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.3 -44.98 74.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 47.9 mt-10 -55.67 -50.8 69.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.164 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -47.6 69.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.613 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.3 m-85 -67.7 -31.98 72.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -59.96 -55.06 38.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.97 174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.43 -32.91 74.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.659 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.62 -42.05 98.22 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.2 -40.89 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.651 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.02 -43.09 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 0.0 110.177 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.26 -43.67 97.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.145 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.43 -46.86 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -58.91 -46.56 87.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.827 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.0 t -69.92 -44.18 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.092 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -175.594 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.55 -56.49 19.46 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.39 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.08 -38.56 91.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.316 0.579 . . . . 0.0 109.527 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 1.7 mm? -54.93 -45.83 74.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.994 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 8.0 tppt? -66.52 -50.35 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.18 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.027 0.441 . . . . 0.0 110.996 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -74.97 -42.53 57.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.647 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.56 -39.97 92.28 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.19 -51.83 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.46 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 85.1 mt -63.72 -40.49 96.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.945 -175.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.81 -44.03 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.675 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.6 86.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -57.62 -54.47 46.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.629 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.39 90.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.675 -178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -61.2 -43.46 98.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.151 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.16 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.062 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.33 -33.19 75.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.438 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -58.98 -51.56 69.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.709 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.3 mtm -67.75 -38.61 83.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.941 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.23 -43.21 78.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.19 -37.94 78.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -55.25 -54.15 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.729 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.44 -25.72 63.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.13 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 40' ' ' ILE . 62.0 tp -63.92 -40.77 97.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.155 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.27 -27.04 61.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.45 -25.52 60.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.589 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.97 53.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.003 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.866 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -60.59 169.89 1.63 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.422 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.866 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 11.6 Cg_exo -4.69 122.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 125.195 3.93 . . . . 0.0 116.169 -137.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 m 174.86 -53.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.175 -2.739 . . . . 0.0 106.143 174.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.39 27.16 6.42 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.904 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' HA ' HG13 ' A' ' 40' ' ' ILE . 67.8 p-90 -56.58 -30.06 62.76 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.36 -28.23 67.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.468 0.651 . . . . 0.0 109.982 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -89.51 -3.45 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.724 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.61 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.5 mt -54.0 -44.24 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' B' ' 45' ' ' GLU . 51.7 tpp -61.24 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.7 -50.45 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.17 -48.52 85.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.969 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.42 -50.97 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.891 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.79 -49.45 77.61 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.841 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.501 HG21 ' CE2' ' A' ' 51' ' ' TYR . 11.7 m -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.132 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 43.6 t80 -68.49 -42.11 79.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.693 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.31 -39.96 80.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.952 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.15 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 47' ' ' THR . 24.8 m-85 -62.94 -36.61 84.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.493 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -63.56 -48.77 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.231 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -53.27 -48.63 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.15 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 8.2 mp -58.98 -48.92 79.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 111.104 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' CG ' ' HZ1' ' A' ' 59' ' ' LYS . 23.1 t70 -65.17 -44.75 87.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.067 -176.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.69 -40.48 95.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.309 0.576 . . . . 0.0 110.592 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 21.4 t80 -65.14 -40.23 94.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.988 177.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -65.44 -43.27 90.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.97 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP . 13.8 mptt -58.33 -49.35 77.49 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.099 178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 p -68.46 -43.53 76.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 57' ' ' PHE . 15.2 t . . . . . 0 C--N 1.323 -0.56 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.034 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.35 -51.79 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.638 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.31 -38.68 84.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.86 -51.86 64.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.925 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -66.65 -41.59 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.733 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.24 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.324 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.04 -45.03 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.59 -41.85 91.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.134 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -57.73 -51.13 70.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.754 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.575 ' HA ' ' HE3' ' B' ' 14' ' ' LYS . 0.9 OUTLIER -58.61 -46.64 86.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.449 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.38 -39.65 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -64.88 -44.55 89.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.84 -57.47 11.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.229 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -35.71 70.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.441 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -66.3 -33.58 76.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.28 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.27 -26.02 67.14 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.64 -45.51 81.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -71.14 -42.3 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.416 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -44.14 84.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.533 ' HA ' HG12 ' B' ' 43' ' ' VAL . 64.8 tp -77.62 -47.35 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -61.67 -39.17 90.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.22 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.7 -39.79 95.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.176 0.512 . . . . 0.0 110.348 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.69 -36.78 70.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.819 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -64.35 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.473 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.35 -34.67 55.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.852 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -104.35 26.49 8.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.18 0.514 . . . . 0.0 110.59 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.959 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.3 mt -43.43 174.34 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.066 0.947 . . . . 0.0 113.45 175.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.959 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.83 19.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 1 C-N-CA 126.657 4.905 . . . . 0.0 118.597 -144.947 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.528 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -128.05 133.67 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 160.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.95 9.58 71.29 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.191 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' B' ' 40' ' ' ILE . 70.7 p-90 -58.09 -21.02 44.29 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 61.2 t30 -61.63 -25.49 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.324 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.408 ' O ' HG23 ' B' ' 43' ' ' VAL . 58.6 mtp180 -92.77 0.07 57.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.05 -175.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.511 HG13 ' HA ' ' B' ' 37' ' ' TRP . 51.1 mt -54.83 -49.27 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.497 0.189 . . . . 0.0 111.396 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 38.0 ttm -68.29 -35.27 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.918 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' B' ' 46' ' ' LYS . 26.8 tt0 -62.14 -53.15 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.297 0.57 . . . . 0.0 110.414 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' B' ' 26' ' ' LEU . 57.7 t -63.89 -38.29 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.827 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.38 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.521 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 21.3 mt-10 -59.45 -47.69 84.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 42' ' ' GLU . 65.9 mttt -60.17 -49.79 76.25 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 m -60.57 -49.51 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.21 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.28 -49.24 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.266 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.99 -46.39 90.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.39 -51.98 66.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.72 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -69.44 -37.01 77.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.404 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -64.82 -50.82 65.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.509 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -59.19 -39.91 84.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.625 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 40.7 tp -58.62 -49.93 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.037 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.38 -39.93 92.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -60.85 -42.66 98.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.064 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.1 mtp180 -64.34 -39.24 93.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.37 -38.53 81.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 33.8 t -63.28 -54.43 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.496 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.452 HG21 ' HA ' ' B' ' 58' ' ' ARG . 11.0 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.562 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.45 -46.47 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.547 0.689 . . . . 0.0 110.236 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.54 -37.84 83.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.922 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.22 -37.21 80.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.606 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.38 -51.9 60.96 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.335 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.29 84.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.752 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -62.74 -53.52 53.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.61 177.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.23 -34.6 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.712 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.29 -47.82 84.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.954 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -64.42 -48.44 75.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 88.2 mt -60.41 -36.14 77.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.679 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.99 -43.26 99.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.928 0.395 . . . . 0.0 110.31 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.89 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.337 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -58.25 -51.71 68.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.572 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.46 74.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.533 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -75.02 -46.91 31.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.16 91.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.21 -38.37 90.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.006 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HG3' HD12 ' B' ' 33' ' ' LEU . 84.3 tttt -59.11 -45.44 90.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.999 0.428 . . . . 0.0 110.462 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.5 mtp -66.3 -48.05 71.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.853 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.9 -43.89 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD21 HD11 ' B' ' 33' ' ' LEU . 67.3 tp -61.0 -48.43 81.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.756 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 5.7 t60 -62.32 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.38 -44.07 92.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.83 -37.09 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.671 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.99 -26.93 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.036 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 38.7 mm-40 -70.63 -35.55 72.98 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 176.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -112.5 65.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.774 0.797 . . . . 0.0 110.35 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 1.069 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.7 mt -70.9 176.24 2.14 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.593 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 1.069 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 18.14 19.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.553 1 C-N-CA 127.365 5.377 . . . . 0.0 119.309 -149.548 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -111.18 133.65 53.38 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 155.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.55 42.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.053 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.564 ' HA ' HG13 ' A' ' 40' ' ' ILE . 2.1 p90 -56.44 -22.59 33.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 111.3 178.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -71.55 -16.83 62.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.06 0.457 . . . . 0.0 111.035 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.5 ttt-85 -98.86 1.07 45.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.309 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.564 HG13 ' HA ' ' A' ' 37' ' ' TRP . 15.6 mt -51.75 -43.25 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.817 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.23 -44.1 96.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.546 0.212 . . . . 0.0 110.914 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -59.06 -51.37 70.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.7 t -60.3 -46.1 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.756 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.08 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 35.8 mt-10 -59.16 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.175 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.18 -44.35 83.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 HG21 HD22 ' A' ' 26' ' ' LEU . 40.9 m -63.92 -46.81 83.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.991 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.041 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 44.2 mt-10 -58.8 -41.8 87.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.236 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -55.87 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.989 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -64.96 -28.88 69.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.611 0.243 . . . . 0.0 111.185 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -68.41 -48.6 64.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 110.354 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' OE1' HD23 ' A' ' 15' ' ' LEU . 29.0 tt0 -61.33 -36.17 79.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 5.7 mp -58.81 -43.74 90.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.454 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.614 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 32.2 t70 -72.28 -38.23 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.11 -40.56 77.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.316 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.503 ' O ' HG23 ' A' ' 61' ' ' THR . 92.3 t80 -61.28 -44.0 97.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.112 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.766 HH21 HG21 ' A' ' 61' ' ' THR . 0.5 OUTLIER -60.48 -44.1 96.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.313 179.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.614 ' HE2' ' OD2' ' A' ' 55' ' ' ASP . 67.9 mmtt -57.6 -46.65 83.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.383 0.611 . . . . 0.0 109.797 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -65.59 -54.75 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.686 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.766 HG21 HH21 ' A' ' 58' ' ' ARG . 7.5 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.77 -174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 120.581 0.229 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.66 -53.57 55.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.68 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -33.77 74.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.748 178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.46 -45.17 84.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.347 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.23 -52.53 58.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.419 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.56 78.02 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.435 0.459 . . . . 0.0 111.111 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -67.17 -52.56 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.98 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.85 -47.49 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.48 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -61.81 -44.45 96.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' B' ' 54' ' ' LEU . 82.1 mt -68.05 -42.76 80.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.492 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.85 -51.52 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.278 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.42 92.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.39 -50.79 71.43 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.38 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 111.584 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -68.89 -44.95 72.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.52 83.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.223 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -35.14 77.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.317 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.574 ' HZ3' ' HB2' ' B' ' 23' ' ' LYS . 4.0 ttmp? -53.74 -53.33 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.932 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.27 -39.64 71.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.819 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.75 -35.64 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.68 -41.49 83.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.282 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.462 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 36.5 t-80 -62.27 -39.2 92.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.35 -42.4 98.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.639 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.26 -41.58 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.051 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -26.13 66.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 111.114 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 27' ' ' HIS . 40.5 mt-10 -78.5 -22.3 47.62 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.309 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -98.6 24.28 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.337 0.589 . . . . 0.0 111.14 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.844 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 15.6 mt -47.71 169.48 0.12 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.329 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.844 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 1.2 Cg_exo 5.8 127.25 0.0 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.824 1 C-N-CA 125.39 4.06 . . . . 0.0 115.915 -136.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.643 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 30.3 m 96.4 -14.44 0.08 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 111.88 -2.418 . . . . 0.0 109.51 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.72 47.14 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 170.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.643 ' HD1' ' H ' ' B' ' 35' ' ' THR . 37.3 p-90 -108.27 -27.06 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.69 -22.22 60.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.263 0.554 . . . . 0.0 110.553 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.512 ' HG3' HG23 ' B' ' 43' ' ' VAL . 23.9 tpp180 -82.07 -11.79 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.47 -52.53 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.171 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 53.5 ttm -65.36 -33.03 74.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.222 0.534 . . . . 0.0 110.894 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.05 -57.81 6.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.002 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' B' ' 39' ' ' ARG . 58.6 t -63.28 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.931 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.84 94.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.226 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.48 -50.35 74.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.287 0.565 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' B' ' 46' ' ' LYS . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.901 -176.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 63.4 m -67.37 -43.33 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.514 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -63.88 -46.16 86.14 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.256 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -53.8 -47.58 70.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.38 46.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -37.26 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -67.66 -46.82 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.99 -33.79 74.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.928 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.575 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.8 mp -60.54 -50.92 71.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.395 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.94 -43.7 98.3 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.94 -47.93 81.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.411 ' O ' HG23 ' B' ' 61' ' ' THR . 81.9 t80 -60.29 -42.09 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.557 ' HE ' ' HA ' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -59.89 -42.46 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.436 -179.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.92 -36.84 48.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 38.9 m -64.63 -43.48 93.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.738 0.304 . . . . 0.0 110.808 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.411 HG23 ' O ' ' B' ' 57' ' ' PHE . 13.7 t . . . . . 0 C--N 1.327 -0.374 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.76 -50.38 43.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 0.0 110.415 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 19.0 tt0 -63.09 -39.5 94.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.2 mp -58.16 -35.25 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.602 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.13 -47.76 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.303 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.99 85.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.163 0.506 . . . . 0.0 110.623 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 4.7 tmtp? -65.26 -46.78 79.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.06 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.69 -39.89 94.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.126 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 1.7 tpmt? -54.06 -44.48 71.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.094 0.473 . . . . 0.0 110.83 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -62.6 -54.16 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.961 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HD3' ' A' ' 11' ' ' LYS . 4.6 mm? -67.85 -32.0 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.802 -176.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.12 -46.97 86.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.217 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.72 89.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.327 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.96 -48.99 79.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.166 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.006 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.8 m -65.24 -34.28 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.023 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -53.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.701 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HA ' HD11 ' A' ' 22' ' ' LEU . 4.0 mm? -64.07 -33.13 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.8 -43.1 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.649 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.853 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 10.2 mmt -75.65 -46.42 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.659 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -58.21 -47.46 83.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.883 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 47' ' ' THR . 56.1 tp -66.73 -49.21 66.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.913 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.9 -37.69 87.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.949 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.06 -32.52 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.872 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.48 -37.75 63.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.227 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.76 61.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.294 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.65 -45.69 71.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.622 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -112.36 83.8 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.552 0.692 . . . . 0.0 110.099 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.829 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -85.05 173.01 7.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.232 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 9.0 Cg_exo 0.46 121.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 125.188 3.926 . . . . 0.0 115.737 -135.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.401 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 5.5 m 170.39 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 111.322 -2.672 . . . . 0.0 106.303 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.48 32.81 2.76 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.659 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.401 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.3 p-90 -62.09 -24.73 67.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.458 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 12.1 t30 -67.39 -21.47 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.264 0.554 . . . . 0.0 110.511 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 39' ' ' ARG . 49.2 ttt-85 -96.94 2.77 52.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.694 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' B' ' 26' ' ' LEU . 11.6 tt -61.68 -39.95 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.1 mtp -71.63 -38.97 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.99 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.15 -52.95 63.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.78 -45.31 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.696 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' B' ' 41' ' ' MET . . . -61.0 -46.71 89.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.5 -50.99 71.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.49 -44.83 93.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.334 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 26' ' ' LEU . 62.9 m -61.44 -45.45 94.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.239 . . . . 0.0 110.752 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' B' ' 38' ' ' ASN . 28.1 t80 -60.84 -51.97 67.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.323 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.739 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 26.6 mm-40 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.082 -178.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.66 48.14 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.537 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.77 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.005 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.739 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.05 -38.78 86.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.568 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 53.2 tt0 -71.27 -34.37 70.64 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.565 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.1 -49.88 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.368 . . . . 0.0 110.376 173.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.75 -42.17 95.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 20.1 mm-40 -55.15 -53.66 53.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.68 -43.34 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.462 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.2 mmp_? -67.34 -43.23 82.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.518 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.4 -41.82 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.816 -174.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.428 ' OG1' HD21 ' A' ' 8' ' ' LEU . 1.3 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.2 -53.78 13.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.577 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.99 -39.55 78.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.675 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.14 -48.54 81.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.818 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.75 -42.32 86.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.0 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.679 ' HA ' ' HE3' ' B' ' 11' ' ' LYS . 0.4 OUTLIER -66.05 -48.61 70.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 177.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.58 -43.05 84.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.827 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.89 -49.0 76.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.314 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.31 -45.52 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.855 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.22 -37.76 69.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.844 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -59.17 -52.07 67.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.103 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.73 83.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.174 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.9 -49.78 55.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.21 87.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.826 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -67.14 -35.78 80.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.291 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.45 78.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.465 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 22' ' ' LEU . 3.7 mm? -73.47 -27.8 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -49.78 76.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.801 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 13.6 tpt -75.79 -27.65 58.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.036 0.446 . . . . 0.0 110.589 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.09 -47.69 83.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.556 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.451 ' CD2' HD12 ' A' ' 40' ' ' ILE . 50.7 tp -62.82 -40.43 97.39 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.568 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.19 -40.38 85.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.34 -43.08 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.77 -35.12 76.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.61 62.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.772 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.55 -29.79 63.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.479 0.656 . . . . 0.0 109.914 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.99 27.28 6.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.444 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.777 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 8.9 mt -41.47 167.98 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.777 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 14.7 Cg_exo -1.17 122.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.576 0 C-N-CA 124.876 3.717 . . . . 0.0 115.255 -132.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.602 HG23 ' O ' ' B' ' 34' ' ' PRO . 3.1 p -179.78 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 111.756 -2.475 . . . . 0.0 106.825 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.85 39.08 2.42 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.634 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.728 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.8 p90 -54.93 -22.71 15.88 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.092 0.557 . . . . 0.0 111.963 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.648 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 8.6 t30 -58.27 -30.5 66.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.636 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.431 ' O ' HG22 ' B' ' 43' ' ' VAL . 74.2 mtp180 -97.96 4.43 49.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.661 -175.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.728 HG13 ' HA ' ' B' ' 37' ' ' TRP . 27.7 mt -56.23 -50.2 72.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.213 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.515 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 20.2 ptm -69.27 -25.49 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 31.6 tt0 -63.55 -54.11 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.194 0.521 . . . . 0.0 109.749 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 39' ' ' ARG . 15.2 t -60.63 -44.72 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.843 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.62 93.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.43 -54.15 50.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.345 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.497 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.6 mtmt -57.99 -42.05 84.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.3 m -65.05 -53.45 45.61 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 75.4 t80 -59.49 -44.45 93.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.652 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.677 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.9 tm-20 -67.18 -41.3 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.71 98.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -74.68 -29.85 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.614 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -72.48 -39.71 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.005 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -70.81 -31.02 67.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.041 0.448 . . . . 0.0 109.868 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 31.2 tp -57.94 -42.61 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.083 175.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.85 -39.55 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 27.4 mm-40 -54.91 -47.75 73.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 176.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.4 mtp180 -65.56 -41.69 92.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.178 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -70.68 -41.24 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.108 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -60.73 -50.64 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.289 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.326 -0.436 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.394 -177.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.89 0.376 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.9 -42.9 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.29 -37.5 83.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.425 174.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.13 -39.21 91.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.426 0.29 . . . . 0.0 110.959 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -62.18 -50.29 72.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.35 . . . . 0.0 110.427 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.03 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' HE1' ' A' ' 57' ' ' PHE . 72.0 tttt -70.99 -48.33 53.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.32 -39.59 94.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.263 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.73 -46.19 91.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.274 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 1.2 tpmt? -57.88 -49.03 78.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.699 178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.0 -43.77 91.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.031 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.57 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.78 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -64.41 -44.76 90.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.83 99.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.96 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -66.56 -42.91 86.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.86 91.61 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.75 -39.39 84.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.827 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -56.74 -50.09 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.65 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.1 mtp -66.92 -39.14 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.74 -45.69 88.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.62 -43.32 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 19.3 t-160 -60.78 -37.83 83.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.33 -36.5 61.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.594 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 43' ' ' VAL . 41.5 tp -64.18 -29.8 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.88 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.229 0.537 . . . . 0.0 110.83 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -84.55 -21.95 30.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.31 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.98 32.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.891 0.853 . . . . 0.0 110.102 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.957 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.8 mt -57.44 169.0 0.84 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.215 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.957 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 11.55 20.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.301 1 C-N-CA 127.287 5.325 . . . . 0.0 119.115 -151.083 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.536 ' H ' ' C ' ' A' ' 33' ' ' LEU . 21.5 m -107.36 -59.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.055 0.455 . . . . 0.0 109.954 172.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.42 28.7 11.15 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.41 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.65 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.0 p-90 -63.51 -22.45 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 111.422 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -67.44 -20.95 65.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.402 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -104.34 5.27 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.99 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 37' ' ' TRP . 23.5 mt -56.79 -46.04 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 tpp -57.28 -46.01 83.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.257 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.1 tt0 -62.15 -55.94 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG23 HD23 ' A' ' 29' ' ' LEU . 44.7 t -58.74 -45.17 91.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.916 -177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.438 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 33.4 tt0 -58.59 -51.26 70.66 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.272 0.358 . . . . 0.0 110.491 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 53.2 mtmt -59.61 -47.05 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.431 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 51' ' ' TYR . 27.1 m -61.87 -43.32 99.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -65.2 -44.56 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.636 0.255 . . . . 0.0 110.539 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.99 -36.09 78.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -45.07 87.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.993 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 47' ' ' THR . 21.3 m-85 -61.94 -42.24 98.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.874 0.369 . . . . 0.0 110.033 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -56.78 -55.46 33.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.643 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -62.78 -30.63 71.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.567 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.91 -44.2 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 25.4 t70 -69.41 -35.03 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.692 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -72.92 -22.75 60.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.867 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' HE1' ' HD3' ' A' ' 11' ' ' LYS . 70.3 t80 -71.12 -40.48 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 170.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 3.9 mmp_? -56.09 -46.65 78.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.394 171.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.48 -38.08 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.32 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -66.63 -41.96 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -174.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.988 0.423 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.52 -50.55 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.314 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.2 -39.03 91.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.53 -48.44 74.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.76 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.79 -51.64 67.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.217 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.68 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.56 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 36.5 ttmt -72.99 -45.52 57.46 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.706 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -54.49 -45.2 73.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 110.119 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.7 -48.55 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.528 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.65 -47.4 84.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.153 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 82.8 mt -64.57 -43.17 94.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -60.49 -44.86 95.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.005 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.82 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.757 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.5 -46.99 85.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.78 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.0 m -74.56 -36.59 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.6 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.88 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.944 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.92 -39.49 94.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.707 ' HG3' HD13 ' A' ' 33' ' ' LEU . 85.1 tttt -57.64 -42.05 82.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.738 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 90.1 mtp -69.8 -52.95 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.058 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.6 -33.45 75.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.472 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.61 -36.55 78.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -65.82 -45.38 82.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -61.13 -43.56 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' B' ' 40' ' ' ILE . 52.5 tp -63.42 -44.18 95.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.453 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 27' ' ' HIS . . . -68.72 -30.75 69.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.88 -176.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.81 -34.23 21.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.374 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.77 26.39 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.143 0.497 . . . . 0.0 110.602 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.954 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -42.05 174.45 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.675 1.19 . . . . 0.0 113.941 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.954 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.62 20.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.299 1 C-N-CA 126.302 4.668 . . . . 0.0 118.445 -145.595 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.548 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -125.33 134.69 52.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 159.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 15.07 66.35 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.594 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.41 ' HA ' HG13 ' B' ' 40' ' ' ILE . 29.2 p90 -57.0 -21.12 28.17 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -63.48 -22.11 66.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.01 0.433 . . . . 0.0 110.961 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -92.86 -2.62 55.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.005 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.509 ' HA ' HD22 ' B' ' 29' ' ' LEU . 66.3 mt -57.05 -48.53 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 93.1 mmm -68.38 -37.47 80.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.079 -178.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.53 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 13.0 tt0 -65.31 -54.34 30.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.88 -48.21 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.602 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.25 -45.14 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.839 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 49' ' ' GLU . 16.3 tm-20 -59.23 -54.82 42.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.53 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.1 mtmt -65.5 -37.1 85.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -64.35 -46.07 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.327 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.607 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 84.4 t80 -61.15 -48.8 79.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.316 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 45' ' ' GLU . 15.3 mm-40 -62.16 -42.59 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.955 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.13 65.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.465 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.65 -28.68 67.92 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.541 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' B' ' 48' ' ' TYR . 32.9 mtm105 -61.49 -58.15 9.31 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.951 0.881 . . . . 0.0 109.737 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.71 -37.17 83.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.211 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.03 -45.75 91.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 0.0 110.843 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 24.3 t70 -66.38 -42.96 87.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.67 -34.69 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.3 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.88 -34.76 73.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -65.95 -37.06 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 74.7 mmtt -59.41 -46.53 88.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.36 0.6 . . . . 0.0 109.869 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -61.86 -45.2 94.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.241 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 48.0 m . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.1 179.416 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.114 0 CA-C-O 121.393 0.616 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.02 -48.12 54.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.309 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.45 -39.88 92.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.861 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 3.0 tt -57.26 -51.74 68.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.42 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -58.57 -51.48 69.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.965 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.32 88.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.276 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 ttmt -74.33 -49.34 23.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.736 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.44 -39.07 89.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -60.26 -42.76 96.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 110.078 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.4 -44.73 70.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.764 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 74.9 mt -66.31 -41.92 88.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.93 -43.12 99.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.48 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.33 97.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.29 -47.72 83.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.32 90.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -62.63 -39.32 93.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.64 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.64 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.09 -33.84 74.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.434 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -57.77 -47.01 83.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.624 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtt -75.18 -35.34 61.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.836 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.61 -51.45 69.77 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.175 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HA ' HG12 ' A' ' 43' ' ' VAL . 61.4 tp -65.68 -44.54 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -61.74 -34.09 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.7 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.5 -49.42 75.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.097 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.21 -36.7 58.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.081 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.97 62.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.314 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.34 -37.81 74.74 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.0 90.36 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.462 0.649 . . . . 0.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.694 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 4.9 mt -67.28 -179.83 0.48 Allowed Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.694 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.33 -86.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.699 0 C-N-CA 124.296 3.331 . . . . 0.0 114.281 -130.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.9 m 35.88 -87.69 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -166.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.85 42.66 1.91 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.694 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 50.1 p-90 -51.17 -27.5 8.84 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.002 0.921 . . . . 0.0 112.544 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.5 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 11.9 t30 -64.82 -20.94 66.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.862 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 ttt180 -101.11 -0.41 36.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.438 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.692 HG13 ' HA ' ' A' ' 37' ' ' TRP . 46.4 mt -53.75 -44.04 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.694 0.283 . . . . 0.0 111.405 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.4 tpp -56.79 -47.38 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.426 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.511 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 32.2 tt0 -62.51 -54.31 41.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.189 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 26' ' ' LEU . 25.5 t -55.42 -49.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.441 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.33 92.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.453 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -48.33 82.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 52.9 mtmt -60.08 -43.38 95.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -62.16 -47.88 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.9 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.5 -53.02 62.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.676 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.66 96.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.49 -39.18 74.34 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.524 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 45.1 ttt180 -66.62 -49.47 66.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.926 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -55.35 -38.87 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.228 0.33 . . . . 0.0 111.218 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -47.55 84.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.74 -42.31 97.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.755 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 12.1 mm-40 -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.598 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.4 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 67.7 t80 -62.49 -40.31 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.223 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.551 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.4 mmp_? -61.21 -46.88 88.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.244 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -64.24 -52.61 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.312 -174.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.228 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.52 -55.55 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.93 -33.41 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.544 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.657 ' HG ' ' HZ ' ' B' ' 57' ' ' PHE . 6.6 mp -62.15 -37.93 87.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.494 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.4 -49.75 74.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.202 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -67.67 -51.26 51.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.96 -38.01 89.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.604 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.24 -42.83 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.92 0.391 . . . . 0.0 110.35 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -65.39 -42.16 92.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.362 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.0 -40.83 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 110.483 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.9 -48.54 81.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.671 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.91 98.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.54 -51.84 68.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.349 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' B' ' 51' ' ' TYR . . . -60.5 -31.08 70.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.465 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -74.97 -41.24 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.757 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.42 93.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.78 -34.13 77.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.928 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 19.7 ttpp -60.86 -42.12 97.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.097 0.475 . . . . 0.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -71.56 -41.52 68.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.42 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.49 -46.72 72.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.333 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -70.77 -34.24 71.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.863 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.35 -37.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.94 -28.44 65.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.511 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.69 -31.25 72.36 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -81.9 -33.11 30.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.642 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -89.16 20.88 3.45 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.888 0.851 . . . . 0.0 110.241 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.995 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 9.7 mt -57.06 169.05 0.73 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.036 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.995 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 13.17 20.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.33 1 C-N-CA 127.339 5.359 . . . . 0.0 118.881 -152.282 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.551 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.8 m -103.16 -54.75 2.55 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 166.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.18 35.39 5.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.776 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.586 ' HA ' HG13 ' B' ' 40' ' ' ILE . 6.9 p-90 -60.76 -18.87 57.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.9 -17.56 64.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.379 0.609 . . . . 0.0 110.792 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.584 ' HG3' HG21 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -97.7 -12.74 22.01 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.493 -174.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.586 HG13 ' HA ' ' B' ' 37' ' ' TRP . 83.0 mt -52.96 -53.92 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.3 mtp -68.65 -39.37 80.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.77 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.94 -44.79 79.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.894 0.378 . . . . 0.0 110.598 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.584 HG21 ' HG3' ' B' ' 39' ' ' ARG . 85.9 t -61.89 -52.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.01 78.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.379 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 38.6 tt0 -60.79 -57.04 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -60.2 -35.75 76.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.102 -178.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 61.7 m -61.77 -47.17 86.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 28.4 t80 -65.38 -44.67 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 55.2 mt-10 -57.75 -47.74 81.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.21 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.562 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' B' ' 19' ' ' ALA . 14.3 m-85 -65.51 -38.59 90.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -61.72 -55.45 30.22 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.586 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.32 -36.51 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.085 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.65 -44.85 95.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.697 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' B' ' 58' ' ' ARG . 33.6 t70 -74.25 -30.85 62.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.51 -51.53 68.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.801 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.657 ' HZ ' ' HG ' ' B' ' 8' ' ' LEU . 71.0 t80 -62.39 -38.17 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.283 0.563 . . . . 0.0 109.637 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' B' ' 55' ' ' ASP . 58.2 ttt180 -56.07 -49.89 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.766 176.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -63.32 -42.16 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -61.97 -47.12 86.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.547 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -50.96 68.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.19 -42.76 96.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.633 0.73 . . . . 0.0 109.48 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 6.8 mp -60.03 -47.85 84.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.802 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -66.83 -43.31 84.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.033 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.681 ' O ' ' HG2' ' A' ' 14' ' ' LYS . . . -67.44 -44.78 77.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.358 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.481 ' HG2' HD22 ' A' ' 15' ' ' LEU . 48.5 tttp -70.87 -38.45 73.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.71 -45.59 89.22 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.14 -44.98 92.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.996 0.427 . . . . 0.0 110.488 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.2 mmmm -57.69 -51.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.549 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.9 mm? -63.37 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.554 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.5 -46.39 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.463 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.29 96.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.974 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.85 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.378 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.02 91.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.079 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -64.88 -38.89 92.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.789 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.69 -37.24 70.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HG3' HD12 ' B' ' 33' ' ' LEU . 60.1 tttm -55.38 -48.65 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.3 ptm -75.2 -30.23 60.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -70.12 -44.82 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.938 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 47' ' ' THR . 54.2 tp -57.67 -43.09 84.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.272 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 21.8 t-80 -63.9 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.324 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.14 -35.15 66.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.73 -38.75 87.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.311 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' B' ' 27' ' ' HIS . . . -67.26 -28.53 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.811 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 44.5 mt-10 -79.19 -42.04 26.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -89.02 29.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 110.594 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 1.002 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.9 mt -53.44 177.13 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.705 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 1.002 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 22.79 20.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.456 4.771 . . . . 0.0 118.475 -146.249 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 33' ' ' LEU . 2.2 m -132.52 147.77 52.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.98 14.81 64.0 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.899 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -54.34 -29.2 47.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.061 0.431 . . . . 0.0 112.03 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.27 -28.18 67.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.055 0.455 . . . . 0.0 110.749 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 43' ' ' VAL . 29.9 ttt180 -85.6 -10.18 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.17 -41.22 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.662 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.567 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 2.2 mmt -64.13 -50.99 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.379 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.4 tt0 -60.3 -47.24 86.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.193 0.52 . . . . 0.0 110.69 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 39' ' ' ARG . 87.7 t -60.51 -53.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.481 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.79 78.07 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.6 -56.68 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.578 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 50.3 mtmt -62.38 -37.22 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.52 HG21 HD22 ' A' ' 26' ' ' LEU . 85.4 m -59.55 -47.55 85.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.592 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.491 ' HA ' ' HE1' ' B' ' 37' ' ' TRP . 78.8 t80 -72.94 -48.56 35.82 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.017 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -62.73 -39.15 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -174.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.6 68.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.711 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.11 -30.35 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.24 0.543 . . . . 0.0 110.033 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.07 -46.4 61.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.61 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.39 -30.67 71.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 4.9 mp -53.5 -46.4 70.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.55 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.4 -34.14 63.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.925 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.874 0.369 . . . . 0.0 110.193 174.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.44 ' CZ ' ' HG ' ' A' ' 8' ' ' LEU . 87.7 t80 -59.24 -45.98 89.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.76 174.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 60.7 mtp85 -63.31 -35.07 79.14 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.683 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -58.7 -46.42 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -67.43 -59.95 2.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.856 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.898 -173.388 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.222 -0.387 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.8 -55.71 17.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.468 0.652 . . . . 0.0 110.501 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.58 -33.67 74.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.586 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.468 ' HB2' ' HA ' ' B' ' 5' ' ' ALA . 76.1 mt -65.34 -40.4 93.61 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.454 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 5.7 mmtp -68.74 -35.07 76.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.36 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.511 . . . . 0.0 109.828 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -60.99 -50.01 75.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.94 -42.18 84.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.42 -43.83 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 110.273 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.23 -42.79 91.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.384 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.91 -42.5 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.636 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -60.8 -46.06 91.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.5 96.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.4 -45.48 94.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.126 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.89 98.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.717 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -61.44 -41.33 97.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.489 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.33 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.771 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.53 -29.75 70.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.14 -52.5 64.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.607 0.242 . . . . 0.0 110.528 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.1 ptm -72.95 -29.23 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.68 -52.89 54.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.139 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.39 -39.5 89.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 32.1 t-80 -53.85 -54.1 43.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -26.21 60.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.503 -176.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.466 HD22 HG22 ' B' ' 43' ' ' VAL . 50.1 tp -63.24 -47.44 82.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.187 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.09 -25.6 62.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.747 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -76.34 -26.42 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.435 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -102.71 28.27 6.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.736 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.781 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.7 mt -41.89 168.5 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.781 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 18.9 Cg_exo -2.66 122.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 124.804 3.669 . . . . 0.0 115.02 -132.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m 156.43 -52.67 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 111.926 -2.397 . . . . 0.0 107.7 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.49 28.06 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.13 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.758 ' HE3' ' HD3' ' B' ' 34' ' ' PRO . 4.1 t-105 -59.19 -29.15 67.26 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.267 0.556 . . . . 0.0 109.986 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.42 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 63.7 t30 -64.28 -27.21 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.466 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.42 ' HG2' HG23 ' B' ' 43' ' ' VAL . 60.1 ttt180 -94.38 2.35 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -47.66 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.681 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 48.4 ttm -62.59 -44.61 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.818 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' HD3' ' B' ' 46' ' ' LYS . 10.4 tt0 -58.76 -59.2 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.466 HG22 HD22 ' B' ' 29' ' ' LEU . 93.4 t -56.25 -41.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.827 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.35 92.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.165 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.82 -45.24 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.657 ' HD3' ' HG2' ' B' ' 42' ' ' GLU . 39.0 mtpt -62.85 -40.33 97.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.363 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.9 m -65.89 -48.82 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.732 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.573 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.25 -44.53 83.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.298 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' B' ' 54' ' ' LEU . . . -64.8 -41.5 95.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -73.87 -30.89 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.75 -52.11 67.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.959 0.409 . . . . 0.0 109.939 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -65.67 -38.11 88.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 50' ' ' ALA . 0.4 OUTLIER -60.16 -51.25 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 -178.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 33.3 t70 -72.83 -34.93 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.632 0.254 . . . . 0.0 110.828 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.58 -47.07 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 110.615 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.14 -38.29 87.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.445 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 36.3 ttt180 -58.2 -44.56 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.067 178.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.3 mmtt -62.85 -48.4 79.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.169 0.509 . . . . 0.0 110.1 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.2 t -60.87 -56.87 16.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.519 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.55 -52.55 63.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.12 -38.97 90.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.77 -49.95 75.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.881 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.23 -47.89 84.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.72 94.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -65.59 -52.62 50.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.764 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.5 -39.38 87.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.481 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -59.58 -47.93 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.532 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.9 -44.46 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.382 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.81 -47.95 81.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.881 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.0 -44.47 95.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.284 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.995 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 28.4 m -64.96 -32.92 74.87 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.57 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HA ' HD11 ' B' ' 33' ' ' LEU . 55.3 tttp -55.09 -52.46 63.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -75.21 -30.52 60.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.134 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -43.25 76.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.545 0.212 . . . . 0.0 110.938 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.43 -40.15 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' B' ' 31' ' ' GLU . 30.1 t-80 -57.86 -47.01 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.034 177.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.72 -34.73 76.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 40' ' ' ILE . 50.2 tp -64.48 -49.75 70.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' B' ' 27' ' ' HIS . . . -64.68 -25.25 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.953 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.99 -28.14 63.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.337 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.66 25.81 5.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.905 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -46.96 173.95 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.905 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.55 19.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 1 C-N-CA 126.037 4.491 . . . . 0.0 117.878 -141.742 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.584 ' H ' ' C ' ' A' ' 33' ' ' LEU . 1.4 m -137.68 151.44 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 163.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.88 12.78 37.23 Favored Glycine 0 C--N 1.319 -0.4 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.919 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.743 ' HE1' ' HA ' ' B' ' 48' ' ' TYR . 3.7 t-105 -57.4 -31.9 66.3 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.265 0.555 . . . . 0.0 110.137 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 52.2 t30 -60.23 -31.05 69.81 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.173 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -82.41 -9.0 59.62 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 ' HA ' HD23 ' A' ' 29' ' ' LEU . 35.9 mt -53.99 -49.34 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.102 0.251 . . . . 0.0 111.507 -177.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.11 -27.87 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.48 -60.43 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.601 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -41.41 84.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.23 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.52 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.212 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.55 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 38.1 tt0 -63.47 -46.94 83.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.197 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -61.46 -45.12 95.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.52 -51.89 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.624 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.42 -41.05 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.895 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.75 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.241 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -69.21 -34.53 75.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.045 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -60.2 -55.46 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.89 -30.83 71.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.266 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.54 -51.05 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 1.012 ' HA ' ' HG2' ' A' ' 58' ' ' ARG . 23.0 t70 -69.8 -33.96 73.07 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.847 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.21 -28.73 67.51 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.927 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -77.36 -40.08 45.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 1.012 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 2.1 ptm180 -71.23 -32.12 68.4 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -59.73 -43.77 94.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.024 0.44 . . . . 0.0 110.09 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 t -61.0 -51.97 66.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.089 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.49 HG21 ' HA ' ' A' ' 58' ' ' ARG . 7.3 t . . . . . 0 C--N 1.324 -0.524 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.693 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.433 ' HA ' HD11 ' B' ' 8' ' ' LEU . . . . . . . . 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.13 -44.04 85.39 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.23 0.538 . . . . 0.0 110.447 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.07 -37.92 81.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.024 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 5' ' ' ALA . 61.0 mt -59.16 -48.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.569 176.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.27 -49.83 76.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.05 71.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -66.76 -53.46 32.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.401 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 55.5 tp -61.68 -40.83 96.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 110.148 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -48.29 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -65.02 -39.93 94.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.01 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.89 -41.13 91.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -58.72 -48.69 80.3 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.038 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.44 90.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.012 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.81 -47.73 83.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.41 81.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -39.27 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.872 0.367 . . . . 0.0 110.978 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.68 90.03 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.533 ' HB3' ' OG1' ' B' ' 47' ' ' THR . 4.3 mm? -72.62 -34.8 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.582 ' HG3' HD12 ' A' ' 33' ' ' LEU . 78.5 tttt -53.24 -53.59 48.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.426 178.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptm -69.58 -31.86 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.388 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -69.09 -43.96 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.737 0.303 . . . . 0.0 110.406 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.09 -40.17 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.463 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 23.2 t-160 -61.29 -39.69 91.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.181 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.14 -49.33 36.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.191 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.1 -33.77 71.23 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.677 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.9 tt0 -86.03 -35.53 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.116 0.484 . . . . 0.0 110.201 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.73 25.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.934 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.825 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 13.2 mt -49.74 169.38 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.698 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.825 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.9 Cg_exo -1.33 121.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 124.785 3.657 . . . . 0.0 115.36 -134.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.3 m 168.38 -51.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.227 -2.715 . . . . 0.0 105.435 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.02 36.2 2.25 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.636 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . 0.539 ' HA ' HG13 ' B' ' 40' ' ' ILE . 64.9 p-90 -64.84 -20.72 66.55 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -67.03 -17.84 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.35 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.532 ' HG2' HG21 ' B' ' 43' ' ' VAL . 28.3 ttt180 -97.36 -4.34 38.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.254 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' B' ' 37' ' ' TRP . 73.4 mt -54.99 -51.98 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 97.8 mmm -66.96 -42.73 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.346 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.532 HG21 ' HG2' ' B' ' 39' ' ' ARG . 72.0 t -57.58 -52.57 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.05 68.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.092 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.95 -51.88 67.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.904 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.45 -42.89 78.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.641 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.651 HG23 ' CZ2' ' A' ' 37' ' ' TRP . 17.3 m -63.97 -45.85 87.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.743 ' HA ' ' HE1' ' A' ' 37' ' ' TRP . 44.2 t80 -65.02 -44.75 88.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -49.66 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.553 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.82 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -67.8 -34.14 76.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 52' ' ' ARG . 10.0 mmt85 -62.58 -56.6 16.37 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.25 -34.98 74.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.63 -49.99 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.412 ' CG ' ' HZ2' ' B' ' 59' ' ' LYS . 21.4 t70 -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.37 -43.24 96.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 48.9 t80 -67.36 -36.09 80.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.045 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 14.4 mptt -65.81 -44.77 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 110.107 172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.7 m -60.67 -54.16 48.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.495 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.41 -175.063 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 121.094 0.473 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -160.29 141.25 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.689 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.92 140.92 47.11 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.89 172.56 49.98 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.687 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.74 78.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -65.1 -48.78 72.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.477 . . . . 0.0 110.167 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.552 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.2 -51.56 69.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.783 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -62.37 -48.7 78.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.023 0.439 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.9 tttt -68.12 -47.69 67.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.464 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 tp -61.48 -42.01 98.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.455 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.61 -45.55 93.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.447 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -56.89 -47.61 80.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.661 175.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 85.2 mt -66.05 -39.54 90.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.377 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.14 -50.23 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.052 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.26 -50.7 70.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.74 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.462 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -64.66 -45.49 86.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.775 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.88 79.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 0.0 111.115 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 46' ' ' LYS . 90.1 mt -63.82 -41.68 97.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.788 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HG2' HD11 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -62.83 -39.02 93.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -72.36 -40.5 67.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.556 0.217 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 -33.16 72.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.39 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.94 -40.37 96.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.342 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -58.93 -38.73 79.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.409 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.64 -38.26 59.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.88 -32.26 73.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -29.81 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.61 -21.64 28.36 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.334 0.588 . . . . 0.0 110.312 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.55 29.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.903 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.952 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.1 mt -56.02 167.86 0.79 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.732 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.952 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 10.77 20.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.489 1 C-N-CA 127.41 5.407 . . . . 0.0 119.136 -153.176 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 33' ' ' LEU . 6.3 m -103.6 -55.86 2.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 167.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 28.85 13.2 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.524 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' HA ' HG13 ' A' ' 40' ' ' ILE . 9.3 p-90 -60.2 -25.21 65.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.83 -14.95 60.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 110.137 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 33.8 ttt180 -105.87 1.82 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.316 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.594 HG13 ' HA ' ' A' ' 37' ' ' TRP . 77.5 mt -54.07 -51.63 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.93 -24.91 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.54 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 32.9 tt0 -62.29 -62.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.13 0.491 . . . . 0.0 110.354 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.85 -32.13 56.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.626 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.65 84.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.08 -50.18 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.216 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -59.4 -45.03 92.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.637 -175.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.8 m -63.77 -44.35 93.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.15 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.57 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.6 tm-20 -65.96 -41.28 91.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.671 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.18 95.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.72 0.295 . . . . 0.0 111.167 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 24.3 m-85 -74.77 -29.15 61.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -71.41 -39.42 71.13 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.39 -34.73 74.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.038 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 58.1 tp -60.1 -43.85 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.734 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.24 -40.08 86.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.576 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.708 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 24.4 mm-40 -57.91 -37.18 73.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -67.85 -44.15 77.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.276 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 24.8 mtm180 -61.32 -44.18 97.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.463 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.708 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 17.4 ptmt -70.02 -32.83 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.892 0.377 . . . . 0.0 110.989 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 m -75.75 -42.08 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -71.42 -26.88 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.274 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.715 ' HA ' ' HB3' ' A' ' 67' ' ' HIS . . . -62.05 -50.46 71.89 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.422 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 t -63.6 -31.65 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.435 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.29 -48.39 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.379 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 67' ' ' HIS . 41.2 mt-10 -73.43 -13.97 61.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.195 -177.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 67.22 27.25 8.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -165.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.715 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 2.9 t-160 -78.51 96.39 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.698 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -121.28 -2.77 9.52 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.012 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -133.44 169.11 17.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 111.193 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -100.77 -177.48 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.957 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.668 176.294 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -153.33 132.52 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.342 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -93.84 128.77 40.29 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.011 0.91 . . . . 0.0 111.297 -174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.71 113.93 2.31 Favored Glycine 0 C--N 1.315 -0.629 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.059 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.45 64.0 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -170.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -73.5 -47.42 41.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.673 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.13 -31.94 66.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.86 -38.89 92.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.199 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -65.4 -40.13 93.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.378 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.26 96.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.385 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -50.73 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.02 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 65.0 tp -60.68 -41.62 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.717 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.57 -49.27 76.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -62.09 -36.09 80.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.865 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.62 -41.68 68.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.17 -51.58 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.375 . . . . 0.0 110.17 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.463 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 27.3 tt0 -67.58 -50.75 56.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.21 89.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.88 -42.35 97.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.588 ' HA ' ' HE2' ' B' ' 24' ' ' MET . . . -65.53 -41.84 92.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 78.4 mt -69.94 -31.14 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -66.48 -47.36 73.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.588 ' HE2' ' HA ' ' B' ' 21' ' ' ALA . 27.3 ptt? -69.83 -33.66 72.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.492 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.98 -45.99 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.17 -43.29 98.66 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.62 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 66.4 t60 -59.46 -44.59 92.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.484 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -43.09 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.045 177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' B' ' 40' ' ' ILE . 45.2 tp -66.18 -34.56 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.86 95.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 6.6 pt-20 -86.38 -21.48 27.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.195 0.521 . . . . 0.0 111.443 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -83.52 18.09 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.966 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.0 mt -48.88 173.38 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.966 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.45 19.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.388 1 C-N-CA 126.349 4.699 . . . . 0.0 117.945 -144.583 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.614 ' H ' ' C ' ' B' ' 33' ' ' LEU . 5.4 m -130.47 154.54 47.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 159.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.37 9.47 17.15 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.815 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.617 ' HA ' HG13 ' B' ' 40' ' ' ILE . 24.8 p90 -55.75 -25.9 43.04 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.11 0.455 . . . . 0.0 111.614 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -72.05 -16.06 62.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' B' ' 43' ' ' VAL . 45.3 ttt180 -107.78 3.08 24.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.533 -176.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.617 HG13 ' HA ' ' B' ' 37' ' ' TRP . 61.7 mt -56.79 -51.59 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.1 ttm -66.21 -35.75 81.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.44 ' HG2' ' HE3' ' B' ' 46' ' ' LYS . 34.2 tt0 -60.86 -60.05 4.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.821 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.463 HG23 ' HG2' ' B' ' 39' ' ' ARG . 48.9 t -61.33 -43.52 96.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.112 -177.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.67 80.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.315 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.28 -43.12 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.26 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.44 ' HE3' ' HG2' ' B' ' 42' ' ' GLU . 96.3 mttt -56.73 -50.08 73.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 9.6 m -63.83 -41.9 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.052 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -65.25 -46.82 79.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.872 0.368 . . . . 0.0 110.649 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.5 tp10 -61.5 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . -61.09 -47.15 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -61.81 -42.86 99.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 1.1 ppt_? -66.06 -33.11 75.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -76.1 -34.35 59.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.581 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 50' ' ' ALA . 73.9 mt -62.39 -49.57 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.095 0.474 . . . . 0.0 109.818 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.452 ' CG ' ' HZ1' ' B' ' 59' ' ' LYS . 20.2 t70 -59.81 -43.04 94.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.324 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.2 -54.72 39.71 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.508 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 91.7 t80 -59.94 -39.9 87.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.228 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -61.72 -38.36 87.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.168 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.452 ' HZ1' ' CG ' ' B' ' 55' ' ' ASP . 0.9 OUTLIER -73.88 -42.85 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 177.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m -64.51 -48.5 74.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.679 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t -64.51 -30.22 71.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.968 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.13 68.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.91 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.131 0.491 . . . . 0.0 110.462 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' B' ' 64' ' ' LEU . 4.4 mm? -76.78 -46.51 24.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.821 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -71.75 -11.14 60.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.629 . . . . 0.0 110.818 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -81.62 -2.32 49.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.888 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -108.53 -171.79 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 172.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -156.16 114.94 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.938 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -79.48 131.7 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.924 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -91.33 138.04 31.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.533 177.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -110.08 151.6 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.58 116.33 27.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.8 154.67 25.73 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.661 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.68 -19.65 65.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 111.812 -176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.53 -55.16 12.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 111.271 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.72 -29.76 67.22 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.542 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.3 -48.88 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -61.68 -44.33 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.41 98.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.245 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -73.7 -45.23 53.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.283 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.15 -42.76 86.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -53.32 -51.21 63.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.526 . . . . 0.0 110.66 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 13.2 tppt? -60.49 -49.5 77.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.256 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 54' ' ' LEU . 93.2 mt -65.82 -42.16 90.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.266 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.67 -45.22 93.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.82 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.859 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.94 -42.85 94.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.963 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.39 92.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.799 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -64.57 -37.01 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.29 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mm? -67.43 -31.67 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.255 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.632 ' HG2' HD13 ' B' ' 33' ' ' LEU . 12.8 tmtt? -56.78 -44.82 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 0.0 109.673 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 44.0 ttp -75.47 -42.42 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.274 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.51 -40.95 89.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.535 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.72 -38.42 90.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 25.8 t-80 -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.93 -41.7 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 111.247 -177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.6 tp -74.05 -29.05 61.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 110.931 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 7.0 mm-40 -80.83 -45.41 16.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.096 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -90.49 49.3 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.808 0.813 . . . . 0.0 110.529 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.829 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.9 mt -67.37 171.17 5.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.431 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 29.0 Cg_exo -3.06 121.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.495 0 C-N-CA 125.001 3.801 . . . . 0.0 115.338 -136.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m 160.99 -51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.206 -2.725 . . . . 0.0 106.147 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.0 24.99 9.09 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.188 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' HA ' HG13 ' A' ' 40' ' ' ILE . 52.7 p-90 -58.39 -24.59 60.41 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.3 0.64 . . . . 0.0 112.128 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -63.87 -24.11 67.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.056 0.455 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -104.2 5.75 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.351 -174.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 37' ' ' TRP . 64.6 mt -55.72 -51.12 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.236 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.522 ' HE2' ' HA ' ' B' ' 45' ' ' GLU . 60.0 tpp -56.0 -45.64 78.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.002 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.503 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.8 tt0 -56.97 -54.92 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.92 -44.83 91.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.713 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.937 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.74 -47.57 85.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 54.6 mtmt -66.47 -30.57 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.227 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' ' HD2' ' A' ' 51' ' ' TYR . 61.0 m -68.32 -50.19 55.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.915 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -67.63 -37.77 82.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.179 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 9.6 pt-20 -58.34 -45.6 87.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.659 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -65.94 -47.03 76.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.566 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' HD2' ' O ' ' A' ' 47' ' ' THR . 47.4 m-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 16.4 tpp180 -60.75 -55.24 35.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.689 175.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 12.9 mm-40 -59.34 -37.64 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.557 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HA ' HD11 ' A' ' 15' ' ' LEU . 65.6 tp -60.51 -51.41 69.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.557 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 38.1 t70 -68.43 -38.89 81.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.528 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 57.1 mm-40 -55.96 -48.72 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 176.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -61.65 -41.21 97.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.295 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HD3' ' HA ' ' A' ' 55' ' ' ASP . 65.1 mtp180 -63.77 -37.8 88.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.585 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 32.1 mmtp -74.14 -39.87 62.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.442 . . . . 0.0 110.816 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -61.7 -50.0 74.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.196 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 t -73.39 -29.2 62.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.408 -175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . . . -54.92 -37.73 66.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.179 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -66.11 -46.27 78.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.653 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.94 -25.71 62.86 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.359 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 62' ' ' ALA . 46.1 mt-10 -70.07 -7.79 44.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.59 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 63.7 t60 66.75 29.27 8.65 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' HIS . 51.7 m170 66.88 104.26 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.615 -170.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -56.55 99.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.809 0.814 . . . . 0.0 112.406 -173.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -82.98 123.88 29.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.086 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -78.31 174.27 11.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.301 0.572 . . . . 0.0 111.55 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.5 t60 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.435 178.21 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.0 p -128.56 159.46 35.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.27 112.69 16.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.106 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 144.96 13.24 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.891 0.345 . . . . 0.0 111.644 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.76 -55.35 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.566 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.16 -35.53 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.45 ' O ' ' HE2' ' B' ' 57' ' ' PHE . 50.2 mt -63.57 -42.4 98.32 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.358 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -71.49 -36.71 71.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.35 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.84 91.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -62.47 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.66 -40.52 87.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.25 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.66 -47.91 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.569 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' B' ' 14' ' ' LYS . 14.4 tppt? -56.56 -49.73 73.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.247 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.55 -43.82 98.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.229 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.39 84.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.79 -43.25 99.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.466 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.552 ' HB2' ' CE1' ' B' ' 51' ' ' TYR . . . -64.22 -35.76 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.8 m -71.57 -34.51 70.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.164 0.507 . . . . 0.0 110.402 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.63 84.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.423 ' HA ' ' HB3' ' B' ' 25' ' ' ASP . 95.8 mt -70.6 -26.85 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.505 ' HE3' HD12 ' A' ' 33' ' ' LEU . 1.3 tmtp? -57.25 -50.84 71.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.75 -27.58 58.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.981 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.423 ' HB3' ' HA ' ' B' ' 22' ' ' LEU . 24.6 t0 -64.97 -48.36 74.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.31 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.24 -38.28 78.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.739 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -59.45 -46.54 88.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.85 -38.39 88.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.466 HD21 HG22 ' B' ' 43' ' ' VAL . 58.8 tp -66.01 -37.11 85.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.32 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.212 0.529 . . . . 0.0 110.61 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.03 -22.39 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.97 6.45 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.516 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.994 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.4 mt -41.54 171.37 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.59 1.156 . . . . 0.0 114.034 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.994 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 19.84 20.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 1 C-N-CA 126.089 4.526 . . . . 0.0 117.93 -144.506 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.597 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.3 m -138.34 153.25 48.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 162.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.72 8.44 2.87 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.425 -0.417 . . . . 0.0 113.968 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -60.67 -19.22 57.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 112.195 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -72.73 -22.84 60.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.069 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.66 -12.13 59.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.807 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.461 ' HA ' HD22 ' B' ' 29' ' ' LEU . 52.2 mt -52.47 -45.94 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.719 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.6 ' HA ' ' HE3' ' B' ' 41' ' ' MET . 25.9 mmt -59.96 -45.7 91.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.984 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.465 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 34.1 tt0 -63.86 -55.45 22.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.466 HG22 HD21 ' B' ' 29' ' ' LEU . 40.6 t -60.42 -44.65 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.272 -177.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.61 99.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.522 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 29.9 tt0 -61.25 -48.72 80.16 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.169 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.1 mtmt -56.93 -48.63 77.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -58.94 -47.5 84.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.14 -49.31 70.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -58.92 -36.95 75.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.664 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.2 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.188 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' B' ' 19' ' ' ALA . 22.5 m-85 -65.88 -31.46 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.977 0.417 . . . . 0.0 110.766 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.13 -55.61 20.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.521 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.41 83.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.588 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.48 -49.85 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.503 ' HA ' ' HB3' ' B' ' 58' ' ' ARG . 29.1 t70 -68.76 -29.05 67.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.33 -50.24 66.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.672 0.272 . . . . 0.0 110.887 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.45 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 10.3 t80 -72.15 -28.26 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.503 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 69.2 ttt180 -58.52 -51.23 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 172.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 58.4 mmtt -55.93 -46.45 78.49 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -60.21 -59.62 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.009 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.0 m -68.48 -48.05 65.48 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.36 -25.72 66.93 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 111.568 -172.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -73.31 -39.94 64.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.3 -23.71 54.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.94 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.622 ' HB3' ' HB2' ' B' ' 68' ' ' HIS . 32.2 mt-10 -78.36 -1.73 34.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.467 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.5 t60 65.31 41.92 4.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 63.97 87.93 0.11 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.608 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.622 ' HB2' ' HB3' ' B' ' 65' ' ' GLU . 18.5 t60 -95.18 -10.0 31.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.855 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 78.1 t60 64.7 -78.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.227 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -179.89 106.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.984 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.471 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 53.5 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.328 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.907 0.384 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -136.51 142.16 43.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.61 115.21 22.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.394 0.616 . . . . 0.0 110.179 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 8' ' ' LEU . . . -131.73 151.18 19.7 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.562 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -24.46 64.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.66 -49.66 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 0.0 110.116 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.64 -36.85 85.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.159 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 4' ' ' GLY . 67.1 mt -62.69 -48.02 81.12 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.605 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -62.36 -43.57 98.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.449 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.91 85.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.833 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.18 -48.88 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 61.6 tp -60.97 -40.32 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -57.55 -44.25 85.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.302 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -59.06 -50.75 72.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.998 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -37.81 88.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.101 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -57.08 -52.36 65.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.44 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.6 -50.25 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.131 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.96 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.324 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.419 HG22 ' HE3' ' A' ' 24' ' ' MET . 31.7 m -69.37 -38.7 78.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.851 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.43 94.22 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.302 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.1 mm? -72.5 -39.4 67.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -52.75 -55.43 22.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.419 ' HE3' HG22 ' A' ' 20' ' ' THR . 22.3 ptp -67.74 -29.89 69.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.15 -52.55 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.032 0.444 . . . . 0.0 109.862 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.41 ' HB2' HG11 ' A' ' 43' ' ' VAL . 58.6 tp -64.49 -35.65 81.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.161 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 35.8 t-80 -54.43 -57.69 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.26 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -71.19 -26.35 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.512 -175.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.4 tp -66.2 -45.38 81.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.896 0.379 . . . . 0.0 110.06 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.536 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . . . -75.49 -26.88 58.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.362 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 4.0 mm-40 -57.76 -45.65 85.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.833 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.47 76.61 1.04 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.496 0.665 . . . . 0.0 109.274 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.778 HD13 ' HG3' ' B' ' 23' ' ' LYS . 5.3 mt -64.55 178.75 0.43 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.115 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.719 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 4.6 Cg_exo 7.21 122.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.875 1 C-N-CA 125.628 4.219 . . . . 0.0 115.96 -129.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 34' ' ' PRO . 1.1 p 153.72 128.62 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 110.383 -3.099 . . . . 0.0 104.823 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.94 16.26 2.86 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.606 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' HA ' HG13 ' A' ' 40' ' ' ILE . 18.6 p90 -61.34 -18.56 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.306 0.553 . . . . 0.0 111.869 -177.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.459 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 27.7 t-20 -68.57 -23.86 64.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.639 0.733 . . . . 0.0 109.761 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -95.84 3.89 53.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.668 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' ' 37' ' ' TRP . 24.0 mt -55.66 -43.18 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.41 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.524 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 1.4 mmt -56.89 -46.29 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.978 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -58.88 6.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.993 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 26' ' ' LEU . 22.1 t -58.1 -45.5 88.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.279 -177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.6 98.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.085 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.96 -47.9 78.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.19 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -60.99 -41.88 97.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.127 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.0 m -61.3 -49.73 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.98 -42.82 89.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.851 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.04 -54.67 44.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.734 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.93 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.284 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.96 -41.18 87.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.04 -49.91 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.139 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -54.72 -39.18 67.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.878 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.48 -50.01 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 109.948 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 29.1 t70 -65.71 -32.95 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -71.17 -36.97 72.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.891 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 61.2 t80 -67.24 -35.38 79.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HA ' HG21 ' A' ' 61' ' ' THR . 12.6 ttm180 -60.78 -42.21 97.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.684 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.5 mmtm -54.13 -48.89 70.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.392 0.615 . . . . 0.0 109.516 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.4 m -62.32 -53.38 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.913 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 58' ' ' ARG . 14.2 t -69.16 -30.37 68.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.449 -175.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.25 94.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.249 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -64.44 -37.7 88.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.046 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.33 -46.97 68.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.96 -15.64 62.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.369 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 67.28 26.42 8.57 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -168.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -89.82 110.18 21.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.774 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -116.39 171.48 7.81 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.536 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.2 t60 70.86 103.14 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.225 0.953 . . . . 0.0 111.761 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -96.05 157.25 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.571 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.306 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.405 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 21.2 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.6 p -70.66 -8.8 54.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.673 0.749 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' B' ' 1' ' ' MET . 1.9 mm-40 -155.03 142.72 19.83 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 113.844 -1.525 . . . . 0.0 108.954 172.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.16 144.37 18.25 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.299 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.21 73.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.32 -46.46 60.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.56 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.52 -49.08 71.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.509 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.632 HD11 HG22 ' B' ' 61' ' ' THR . 3.6 tt -57.08 -51.2 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.905 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.17 -45.93 82.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.9 85.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.74 -45.21 68.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.72 -42.1 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.321 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.16 -52.14 66.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.63 -45.93 92.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.135 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HB3' ' CD2' ' B' ' 54' ' ' LEU . 88.7 mt -67.31 -45.01 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.715 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -61.29 -44.77 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.11 89.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.52 -44.6 86.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -27.45 68.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.936 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 55.1 m -75.09 -46.09 36.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.711 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' B' ' 24' ' ' MET . . . -60.33 -53.67 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.612 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -65.22 -31.38 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.354 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.778 ' HG3' HD13 ' A' ' 33' ' ' LEU . 7.6 ttpm? -63.76 -44.22 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.279 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 23.9 ptp -72.04 -34.53 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.835 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -50.31 65.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.889 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.37 -40.71 95.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.49 -51.07 71.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.481 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.02 -32.73 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.16 -40.09 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.6 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.841 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.35 -27.86 63.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.272 0.558 . . . . 0.0 110.895 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.58 -22.16 59.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.035 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.41 25.99 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.195 0.521 . . . . 0.0 110.373 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.3 mt -45.86 174.76 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.409 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 24.05 21.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.424 1 C-N-CA 125.789 4.326 . . . . 0.0 117.787 -146.413 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -126.67 136.0 51.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 159.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.24 21.12 63.79 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.51 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.501 ' HA ' HG13 ' B' ' 40' ' ' ILE . 41.5 p90 -58.32 -22.83 54.53 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -65.49 -21.63 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.902 -0.499 . . . . 0.0 110.548 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -92.48 -2.85 55.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.501 HG13 ' HA ' ' B' ' 37' ' ' TRP . 69.5 mt -53.5 -51.9 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.645 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 86.4 mtp -72.1 -44.69 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.602 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 30.1 tt0 -61.36 -46.96 88.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.809 0.337 . . . . 0.0 110.772 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.2 -42.19 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.285 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.47 93.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.992 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' B' ' 41' ' ' MET . 79.5 mt-10 -53.2 -57.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.098 0.475 . . . . 0.0 110.783 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' B' ' 42' ' ' GLU . 11.9 mptt -66.07 -35.86 81.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.041 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' B' ' 22' ' ' LEU . 39.2 m -64.91 -50.73 65.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.459 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 62.2 t80 -66.58 -41.07 89.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 9.9 tp10 -53.67 -52.34 60.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.05 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.74 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.93 -29.51 69.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.619 0.247 . . . . 0.0 111.662 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.96 -47.1 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 109.985 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 49' ' ' GLU . 87.6 mm-40 -59.92 -38.46 82.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.731 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 2.1 mm? -59.83 -48.59 81.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.79 175.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.96 -50.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.72 -41.61 97.86 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 120.932 0.396 . . . . 0.0 110.69 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.75 -46.15 91.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.832 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -63.31 -34.73 78.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.342 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -69.91 -41.35 74.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -67.59 -43.4 80.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.182 0.515 . . . . 0.0 109.942 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.632 HG22 HD11 ' B' ' 8' ' ' LEU . 98.4 m -63.82 -35.66 81.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.91 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.42 81.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.027 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 24.5 t -67.87 -41.11 83.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.138 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.85 -36.68 78.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.868 ' HB3' ' HB3' ' B' ' 68' ' ' HIS . 29.2 mt-10 -67.36 -13.03 61.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.549 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 61.67 36.01 16.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -174.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 39.0 m80 67.9 41.34 2.14 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.415 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.868 ' HB3' ' HB3' ' B' ' 65' ' ' GLU . 21.7 t-80 -69.05 -68.61 0.39 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.361 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 58.46 96.03 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -146.04 -90.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.244 0.803 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.026 0.441 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -98.74 152.58 19.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 170.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -147.47 159.25 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.337 0.589 . . . . 0.0 110.791 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.41 133.93 14.7 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 115.426 -0.807 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.46 67.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.117 0.484 . . . . 0.0 111.355 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.17 -53.44 55.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.62 -34.62 77.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.901 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -51.74 63.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.059 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -69.45 -34.77 74.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.085 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.37 85.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 82.7 tttt -67.93 -42.01 81.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.889 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.55 -42.06 99.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.203 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.67 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -52.87 -48.17 67.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.08 0.466 . . . . 0.0 110.527 175.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.15 -54.9 41.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.214 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 54' ' ' LEU . 98.4 mt -64.53 -42.12 95.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.836 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -60.98 -46.0 92.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.472 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.32 92.89 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.68 -47.34 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.31 87.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 m -67.37 -40.35 85.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.84 83.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.053 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -70.02 -31.9 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG3' HD12 ' B' ' 33' ' ' LEU . 39.6 ttmt -55.73 -48.81 74.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -68.22 -37.6 81.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.756 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.63 -50.75 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.394 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.77 -40.89 83.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' B' ' 31' ' ' GLU . 21.1 t60 -60.47 -42.83 97.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.491 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.88 -42.56 85.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.44 -36.08 76.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.091 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.26 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.158 0.504 . . . . 0.0 110.676 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.59 -40.57 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.388 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.38 65.36 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.015 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.885 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -65.97 172.9 2.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.677 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.885 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 13.53 -166.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 125.898 4.399 . . . . 0.0 116.595 -141.132 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.0 m 72.39 -56.3 0.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.158 -166.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.32 25.37 12.51 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.211 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' HA ' HG13 ' A' ' 40' ' ' ILE . 21.8 p90 -56.64 -25.51 53.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.046 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.26 -25.61 67.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.615 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG2' HG23 ' A' ' 43' ' ' VAL . 49.3 ttt180 -106.13 4.33 28.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.971 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.55 HG13 ' HA ' ' A' ' 37' ' ' TRP . 69.3 mt -53.52 -51.27 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.632 0.253 . . . . 0.0 111.68 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.586 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 52.8 ttm -68.56 -43.56 76.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.955 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.96 -47.92 79.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.528 HG23 ' HG2' ' A' ' 39' ' ' ARG . 89.4 t -62.26 -48.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.51 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.91 74.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.661 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 41' ' ' MET . 74.3 mt-10 -50.71 -60.75 2.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 122.877 0.471 . . . . 0.0 111.35 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.34 -28.16 62.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.02 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 m -62.42 -54.26 42.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -65.29 -44.65 87.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.904 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.43 -32.72 70.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.74 -52.74 40.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.578 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -59.83 -39.5 85.31 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.868 0.366 . . . . 0.0 110.603 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.05 -56.03 27.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.828 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.99 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.557 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.0 tt -63.2 -48.24 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.824 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.467 ' HA ' ' HB3' ' A' ' 58' ' ' ARG . 37.8 t70 -71.81 -31.25 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.651 0.263 . . . . 0.0 111.077 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.28 -41.9 93.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.37 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.547 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 49.7 t80 -69.58 -38.32 77.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.527 175.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 45.0 ttt180 -57.23 -46.23 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.18 175.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -59.03 -48.96 79.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.63 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' HD21 ' A' ' 64' ' ' LEU . 28.2 t -60.91 -45.12 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 12.7 t -73.45 -29.27 62.44 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.803 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.57 98.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 111.11 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 p -70.61 -20.85 62.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.305 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 60' ' ' SER . 4.1 mm? -89.56 -31.05 17.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 61' ' ' THR . 48.0 mt-10 -70.77 -15.76 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 60.96 43.48 11.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -166.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -62.29 -22.48 66.06 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.221 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 t60 65.49 87.67 0.11 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.1 m170 66.43 136.0 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.589 -171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -85.69 101.09 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.733 0.778 . . . . 0.0 111.118 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.253 1.273 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.518 173.047 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.77 0.319 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -146.75 137.53 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.98 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.83 109.5 19.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.668 0.747 . . . . 0.0 109.613 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.56 152.84 20.59 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.6 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.35 -17.99 63.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.49 -56.19 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.763 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.45 -32.98 70.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.21 -36.63 82.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.33 -47.94 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.291 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.29 93.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.729 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -52.95 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.358 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.333 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.5 -47.05 80.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -60.83 -51.16 70.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.732 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 54' ' ' LEU . 79.4 mt -65.68 -45.24 83.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.707 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.0 111.09 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.75 -40.56 72.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.724 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.05 -44.27 85.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.6 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.041 0.448 . . . . 0.0 110.881 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -67.2 -38.4 85.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.64 79.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.51 HD13 ' HE3' ' B' ' 46' ' ' LYS . 3.6 mm? -63.14 -26.5 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.486 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -55.69 -54.9 38.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.857 0.36 . . . . 0.0 110.656 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.12 -24.41 58.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.34 -36.66 68.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.036 0.446 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.425 ' HA ' HG12 ' B' ' 43' ' ' VAL . 64.6 tp -81.19 -45.5 16.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.16 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -50.97 -54.82 21.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.88 -25.53 59.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.946 -173.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.88 -40.74 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.035 0.445 . . . . 0.0 110.201 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -74.81 -25.13 58.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.531 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 39.5 tt0 -78.05 -43.71 28.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.691 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.12 27.23 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.752 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.772 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.0 mt -40.8 169.5 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.772 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 5.3 Cg_exo 2.63 122.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.624 0 C-N-CA 125.08 3.854 . . . . 0.0 115.609 -131.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.604 HG21 ' O ' ' B' ' 34' ' ' PRO . 1.4 p 175.15 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 111.411 -2.631 . . . . 0.0 106.55 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.61 43.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.372 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.467 ' H ' ' HE3' ' B' ' 37' ' ' TRP . 5.7 p90 -55.26 -27.57 47.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.052 0.541 . . . . 0.0 111.725 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.45 -26.03 67.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.511 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -88.82 -3.49 58.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.332 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.45 -44.24 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.08 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 95.5 mmm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.83 -53.29 59.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.351 0.596 . . . . 0.0 110.132 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.458 ' HA ' ' HE2' ' B' ' 46' ' ' LYS . 40.9 t -64.54 -42.83 96.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.887 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.86 79.34 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.962 0.41 . . . . 0.0 110.357 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.78 -57.8 11.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.716 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.51 ' HE3' HD13 ' B' ' 22' ' ' LEU . 50.4 mtmt -58.88 -50.51 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.619 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -66.13 -46.52 77.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.538 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.01 -44.97 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.11 -48.42 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.852 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.07 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.485 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.6 m-85 -66.4 -40.67 89.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -61.49 -48.73 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.6 -37.45 84.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' B' ' 15' ' ' LEU . 66.4 tp -59.13 -49.73 76.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.591 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.653 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 27.2 t70 -67.93 -41.94 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.9 -45.1 94.1 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.652 0.263 . . . . 0.0 111.547 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -61.43 -37.24 82.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.514 ' HA ' HG23 ' B' ' 61' ' ' THR . 0.0 OUTLIER -64.69 -35.76 82.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.727 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.5 mmtt -63.53 -49.79 72.1 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.219 0.533 . . . . 0.0 109.629 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -62.23 -38.71 90.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.749 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.514 HG23 ' HA ' ' B' ' 58' ' ' ARG . 14.8 t -83.99 -23.37 31.04 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.343 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.1 96.22 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.695 0.283 . . . . 0.0 111.088 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -64.75 -42.26 95.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.386 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' B' ' 64' ' ' LEU . 4.2 mm? -72.43 -38.19 68.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.986 0.422 . . . . 0.0 111.175 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.45 -15.74 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.743 0.782 . . . . 0.0 110.167 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 53.2 m80 58.24 50.95 9.02 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.757 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.417 ' HD2' ' HA ' ' B' ' 70' ' ' HIS . 4.0 t60 -79.4 52.88 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.022 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -60.54 -37.58 81.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.733 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -82.48 91.71 6.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' B' ' 67' ' ' HIS . 34.3 t-80 -76.6 127.85 33.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.545 -165.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 117.082 -1.437 . . . . 0.0 107.731 173.473 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -138.66 143.87 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.24 131.73 51.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.322 0.582 . . . . 0.0 110.519 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' O ' HD22 ' A' ' 8' ' ' LEU . . . -120.88 125.84 6.37 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 175.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.29 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.094 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.51 -45.33 83.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.405 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.99 -36.76 75.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.051 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 3.7 mm? -57.66 -48.75 78.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.391 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -66.15 -40.19 90.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.98 0.419 . . . . 0.0 110.873 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -66.71 -46.57 75.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.889 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.745 HD23 HG21 ' A' ' 61' ' ' THR . 54.1 tp -59.01 -44.48 91.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.856 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.85 -51.65 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.696 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 22.2 ttmm -57.43 -49.64 75.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.808 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.03 -42.06 97.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.678 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 26.2 t-20 -60.6 -50.9 71.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.014 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.54 91.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.21 -47.74 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.21 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.7 m -60.34 -45.6 92.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.184 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.35 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.152 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.326 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.724 ' HG3' HD13 ' B' ' 33' ' ' LEU . 34.3 ttpt -66.42 -44.81 81.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.78 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.28 -48.7 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -63.26 -35.78 81.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.75 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.92 -38.98 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.89 -34.44 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.792 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' B' ' 27' ' ' HIS . . . -70.39 -25.55 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.501 . . . . 0.0 110.533 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.614 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.99 76.06 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 0.0 109.762 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.856 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.1 mt -87.66 171.03 10.38 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.084 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.856 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 8.9 Cg_exo -3.65 121.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.782 0 C-N-CA 125.006 3.804 . . . . 0.0 115.399 -136.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 175.32 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 111.065 -2.789 . . . . 0.0 106.194 -178.263 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.85 32.83 5.17 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.967 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.505 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.2 p-90 -56.51 -21.79 28.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.21 -32.01 71.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.085 0.469 . . . . 0.0 109.97 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 43' ' ' VAL . 39.7 ttt-85 -78.69 -7.89 58.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.627 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.505 HG13 ' HA ' ' A' ' 37' ' ' TRP . 35.5 mt -52.91 -41.94 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.044 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' B' ' 45' ' ' GLU . 97.1 mmm -65.86 -51.53 58.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 1.5 mp0 -55.54 -44.8 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.604 -177.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 39' ' ' ARG . 51.7 t -66.27 -53.28 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.349 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.31 71.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.33 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' MET . 47.7 mt-10 -58.59 -57.29 13.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.203 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.548 ' HE3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -73.97 -29.3 61.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.234 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.9 m -66.15 -51.45 57.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.416 0.151 . . . . 0.0 111.002 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -64.6 -48.85 73.39 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.565 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 57.9 mm-40 -59.62 -32.19 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -47.83 60.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.646 0.26 . . . . 0.0 110.513 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.25 -33.65 73.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 14.6 ptm180 -66.64 -41.59 88.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.279 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -37.49 70.91 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 16' ' ' ASN . 6.3 tt -57.52 -51.65 68.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.991 176.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 24.9 t70 -66.84 -35.35 79.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.658 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.77 -48.41 77.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.749 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 2.4 t80 -65.4 -36.25 83.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 58.5 ttt180 -56.41 -51.46 68.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.234 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -69.34 -32.04 70.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -178.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 m -68.59 -48.44 64.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.745 HG21 HD23 ' A' ' 12' ' ' LEU . 9.7 t -74.01 -29.08 61.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.045 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 67' ' ' HIS . . . -65.44 -25.13 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.794 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.4 m -74.11 -33.2 63.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.271 0.558 . . . . 0.0 110.199 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.28 -40.69 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.621 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -73.42 -13.04 61.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.379 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t60 65.0 77.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.172 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 62' ' ' ALA . 7.9 p-80 -49.57 144.97 5.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.762 -171.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.98 145.42 27.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.698 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -143.12 56.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.872 0.368 . . . . 0.0 110.94 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.2 m80 72.8 148.15 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.908 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.572 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -64.85 130.24 42.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.595 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -134.72 126.27 28.69 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.49 ' O ' HD22 ' B' ' 8' ' ' LEU . . . 168.05 -168.72 40.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.048 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.44 -29.7 61.97 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.5 -50.68 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.43 -39.42 94.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.949 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.49 HD22 ' O ' ' B' ' 4' ' ' GLY . 4.4 mm? -63.19 -51.5 66.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.31 -41.55 98.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.685 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.818 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.32 -44.94 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.2 tp -54.75 -46.23 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.891 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -55.03 -49.67 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.773 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -63.64 -48.3 77.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.193 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HG ' ' NE2' ' B' ' 53' ' ' GLN . 4.0 mm? -68.25 -38.08 81.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.575 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.95 -46.42 90.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.04 90.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.58 -51.81 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.872 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.63 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.998 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -62.43 -45.91 90.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.285 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -48.98 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.328 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 22' ' ' LEU . 4.4 mm? -62.69 -36.85 84.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.772 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.536 ' HG2' HD11 ' A' ' 33' ' ' LEU . 39.1 ttpt -56.0 -55.06 37.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 111.229 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 44.1 mtt -75.51 -28.44 59.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.97 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.87 -39.91 94.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.3 -39.01 93.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.497 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 19.1 t-80 -57.17 -51.93 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.676 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -26.17 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.3 -38.48 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.111 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.813 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.4 -26.64 66.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.0 110.614 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -74.41 -22.1 59.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.71 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -113.7 24.65 11.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.686 0.755 . . . . 0.0 110.192 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 1.009 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.6 mt -53.95 169.0 0.38 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.568 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 1.009 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 12.45 19.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 1 C-N-CA 127.403 5.402 . . . . 0.0 119.208 -150.367 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.551 ' H ' ' C ' ' B' ' 33' ' ' LEU . 20.2 m -100.2 -53.6 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 165.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.82 37.35 3.87 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.478 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.691 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 8.4 p-90 -68.3 -7.81 34.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.945 0.403 . . . . 0.0 111.718 -176.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -77.3 -8.34 57.47 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.754 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -101.74 -7.72 22.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.593 HG13 ' HA ' ' B' ' 37' ' ' TRP . 64.0 mt -52.11 -54.01 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 81.7 mtp -77.95 -31.74 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -57.82 7.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.37 -48.03 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.616 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.96 91.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.386 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.5 tt0 -58.08 -55.03 40.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.393 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.573 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -63.64 -35.87 81.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.001 -178.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 71.4 m -60.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.01 -44.09 85.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 56.4 mt-10 -54.24 -46.08 72.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.001 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.308 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.469 ' HH ' ' HB2' ' B' ' 23' ' ' LYS . 41.8 m-85 -67.04 -37.47 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 111.406 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -64.04 -52.02 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.455 ' NE2' ' HG ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -66.19 -32.65 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.11 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 51.5 tp -60.99 -43.94 98.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.491 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -68.62 -38.22 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -61.62 -42.03 98.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 110.296 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.53 -47.08 86.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.595 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.528 ' HA ' HG22 ' B' ' 61' ' ' THR . 21.8 mtp180 -68.71 -25.76 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.372 0.606 . . . . 0.0 110.79 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.24 -42.1 60.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.03 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -70.78 -36.68 73.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.905 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.528 HG22 ' HA ' ' B' ' 58' ' ' ARG . 6.6 t -74.58 -22.2 59.1 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.145 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.42 -37.35 74.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.136 0.493 . . . . 0.0 110.73 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -70.44 -15.38 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.742 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.05 -41.04 6.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.756 0.313 . . . . 0.0 111.456 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.19 -15.15 61.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.448 0.642 . . . . 0.0 110.953 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 66.9 t60 -138.52 -74.76 0.39 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.963 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 66' ' ' HIS . 1.5 t-80 172.32 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -157.54 126.17 5.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 69.55 125.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.823 0.702 . . . . 0.0 109.217 -172.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -51.4 -54.41 26.86 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.789 0.328 . . . . 0.0 110.99 -173.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.356 171.346 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.946 0.403 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 7' ' ' GLU . 25.4 m -92.1 156.5 17.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.41 -178.33 6.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.805 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.05 150.72 27.0 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.448 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.12 -24.75 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.064 0.459 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -62.25 -52.96 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.841 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 2' ' ' SER . 8.8 tp10 -59.2 -42.27 90.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.211 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.46 -51.24 70.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.83 -178.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -71.81 -32.77 67.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.93 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.01 76.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.945 0.403 . . . . 0.0 110.806 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HG2' HD22 ' A' ' 15' ' ' LEU . 33.3 tttp -74.94 -39.49 61.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.14 -40.18 84.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.327 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -52.37 -48.9 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.32 -52.84 43.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.378 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 54' ' ' LEU . 4.3 mm? -61.5 -40.35 94.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.768 -176.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -62.17 -52.72 62.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.437 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.72 96.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.935 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.02 -51.09 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.742 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -61.2 -45.34 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.451 HG23 ' HE1' ' A' ' 24' ' ' MET . 88.2 m -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.523 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -54.94 41.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.067 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.1 mm? -64.98 -37.58 88.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.647 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HE2' ' HE1' ' A' ' 51' ' ' TYR . 33.3 ttmt -55.26 -51.56 66.27 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.451 ' HE1' HG23 ' A' ' 20' ' ' THR . 20.4 ptp -75.43 -38.18 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.59 -45.1 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.971 -174.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.18 -35.3 78.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' HD2' ' HB3' ' B' ' 30' ' ' ALA . 15.6 t-160 -56.29 -50.78 70.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.497 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.21 -32.34 61.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.79 -40.23 96.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 -26.73 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -84.95 -22.93 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -90.71 56.97 3.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.978 0.894 . . . . 0.0 109.663 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.981 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -63.96 168.76 5.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.906 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.981 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 9.98 20.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.392 1 C-N-CA 127.778 5.652 . . . . 0.0 119.685 -154.269 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 33' ' ' LEU . 28.5 m -105.66 -69.07 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 168.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.04 0.78 89.58 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.685 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.681 ' HA ' HG13 ' A' ' 40' ' ' ILE . 6.4 t90 -53.03 -32.92 49.37 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.493 0.717 . . . . 0.0 111.454 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.11 -26.64 39.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.424 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -115.23 2.93 14.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.75 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.681 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.0 mt -57.24 -48.65 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.0 ttm -59.95 -40.67 89.79 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.9 tt0 -65.07 -49.62 69.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.313 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.0 -47.78 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.123 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.26 87.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -56.21 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.554 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.9 mtmt -67.24 -34.1 76.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.651 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.431 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 45.4 m -62.51 -47.75 82.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 110.152 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.6 -47.57 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.198 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.702 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 5.2 mm-40 -62.01 -44.62 96.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.19 98.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.392 . . . . 0.0 110.612 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HE1' ' HE2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -73.07 -38.45 66.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -178.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 2.9 ptm180 -66.92 -37.96 85.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.43 -40.4 77.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.358 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 15' ' ' LEU . 65.8 tp -62.99 -45.1 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.04 -45.38 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -59.87 -43.04 94.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.146 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.81 -42.05 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 110.314 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -66.17 -41.67 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -60.66 -46.8 88.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.296 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -60.31 -50.96 71.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.271 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t -66.68 -32.67 74.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.045 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.4 82.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.166 0.508 . . . . 0.0 110.189 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.213 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.21 -34.89 77.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.053 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.54 -15.62 63.6 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 111.452 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -93.89 -52.76 4.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.381 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 71.73 -43.63 0.57 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.041 0.838 . . . . 0.0 112.503 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -70.4 89.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 111.409 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -91.86 -25.02 19.15 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.4 t60 66.65 -72.93 0.08 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.755 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.818 -178.629 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' B' ' 7' ' ' GLU . 17.4 m -144.88 132.6 21.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 173.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -91.59 105.1 17.5 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.483 0.658 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.25 144.7 4.42 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.44 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -60.3 -28.47 68.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.65 -55.55 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.419 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.591 ' O ' ' HB2' ' B' ' 11' ' ' LYS . 0.2 OUTLIER -60.78 -40.91 94.34 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.434 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.411 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 2.0 tt -61.12 -46.77 89.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.011 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 1.4 tptm -76.29 -42.47 45.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.289 -175.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.56 81.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.842 0.353 . . . . 0.0 110.341 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' B' ' 7' ' ' GLU . 12.8 tttp -73.53 -43.77 59.16 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.448 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.65 -47.11 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 2.1 tppp? -59.38 -49.07 79.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.483 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -59.85 -51.83 68.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.467 HD22 ' HG2' ' B' ' 11' ' ' LYS . 4.1 mm? -64.17 -42.96 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.052 0.453 . . . . 0.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.6 90.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.764 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.47 -46.54 85.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.62 96.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.8 m -64.7 -33.5 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.55 ' HA ' ' HE1' ' B' ' 24' ' ' MET . . . -65.11 -46.63 80.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.261 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -66.3 -33.15 75.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -54.56 -50.71 67.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.684 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.55 ' HE1' ' HA ' ' B' ' 21' ' ' ALA . 26.4 ptt? -75.06 -32.34 61.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.341 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -45.95 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.645 0.26 . . . . 0.0 110.716 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.446 HD22 HG21 ' B' ' 47' ' ' THR . 49.1 tp -69.65 -43.84 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.466 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 12.7 t-80 -65.47 -39.47 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.119 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.17 -45.05 92.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.201 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 40' ' ' ILE . 20.9 tp -64.12 -36.26 83.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.877 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' HD2' ' A' ' 27' ' ' HIS . . . -66.36 -38.52 87.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.756 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 19.5 mm-40 -73.5 -24.98 60.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.223 0.535 . . . . 0.0 110.242 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -99.22 26.75 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.144 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.943 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.4 mt -42.18 167.84 0.06 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.96 172.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.943 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.4 OUTLIER 8.89 134.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.279 1 C-N-CA 126.624 4.883 . . . . 0.0 116.921 -147.368 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.672 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 63.1 m 96.92 -45.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 113.37 -1.741 . . . . 0.0 109.837 -165.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.424 ' O ' HD11 ' B' ' 29' ' ' LEU . . . -88.44 -5.36 75.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.348 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.672 ' HD1' ' H ' ' B' ' 35' ' ' THR . 41.6 p-90 -65.13 -25.09 67.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.607 -174.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.3 -18.89 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.477 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -98.36 -5.79 32.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.663 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' B' ' 37' ' ' TRP . 47.4 mt -58.76 -51.74 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 46.4 ttm -61.24 -44.59 97.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.52 -48.79 66.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.067 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.69 -47.15 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.338 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.47 89.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.4 -55.84 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.75 -36.96 84.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.379 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.446 HG21 HD22 ' B' ' 26' ' ' LEU . 36.3 m -64.28 -48.05 77.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.774 0.321 . . . . 0.0 110.331 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.5 -46.8 88.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.084 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.85 -48.85 78.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.962 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.91 92.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.322 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.77 -32.12 67.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.475 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 17.6 ttm-85 -67.21 -46.36 74.08 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -63.05 -33.77 76.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.048 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.04 -45.56 80.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.96 98.91 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 39.2 mm-40 -62.93 -43.95 97.4 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.311 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.411 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 57.2 t80 -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -63.04 -47.77 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.991 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -54.66 -46.18 73.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.324 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.7 m -65.7 -50.45 64.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.376 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -71.04 -36.5 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.252 -174.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.07 67.17 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.193 -0.317 . . . . 0.0 111.09 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -82.62 -7.39 59.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -115.53 -22.8 9.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.039 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 66' ' ' HIS . 9.0 tt0 -87.65 5.26 40.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.566 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 39.6 t-80 74.97 22.71 1.79 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.613 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' B' ' 68' ' ' HIS . 14.9 m-70 66.93 160.93 0.16 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.708 -175.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 67' ' ' HIS . 59.8 t60 65.53 100.87 0.04 OUTLIER 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.809 -173.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -72.2 125.38 27.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -49.16 -54.85 14.49 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.772 0.67 . . . . 0.0 110.849 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.816 173.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -77.22 -5.84 50.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.32 0.581 . . . . 0.0 111.675 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -145.78 132.62 20.09 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.069 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 -168.28 12.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.053 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 8' ' ' LEU . . . -69.12 -20.47 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.137 0.494 . . . . 0.0 111.513 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.24 -35.52 76.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.919 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 25.0 tp -61.08 -40.8 95.09 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -69.42 -38.25 77.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.73 73.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HE3' HD12 ' A' ' 15' ' ' LEU . 5.0 tmtm? -65.29 -47.37 76.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.534 175.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 60.0 tp -61.93 -40.98 97.37 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -52.46 -49.52 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.57 -50.82 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD12 ' HE3' ' A' ' 11' ' ' LYS . 81.9 mt -64.19 -45.99 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.404 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.65 -50.7 67.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.039 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.1 85.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -66.14 -49.13 68.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.67 96.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.313 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -68.64 -37.14 79.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.111 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -53.27 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -29.83 70.86 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HD2' ' HE1' ' A' ' 51' ' ' TYR . 89.0 tttt -56.58 -43.92 80.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.409 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.782 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 25.5 mmt -76.32 -37.76 56.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.99 -43.98 98.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.461 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.15 -45.1 94.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.188 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -64.38 -38.45 91.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.506 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.18 -42.21 96.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.279 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 40' ' ' ILE . 41.1 tp -63.52 -35.93 82.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.45 85.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -22.16 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -90.01 13.78 13.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.472 0.653 . . . . 0.0 110.701 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.726 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.7 mt -56.71 173.58 0.3 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.841 169.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.726 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 10.53 127.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 124.897 3.731 . . . . 0.0 114.953 -131.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 56.3 m 96.52 -14.62 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 112.688 -2.051 . . . . 0.0 109.72 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.01 27.07 7.6 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.939 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 34' ' ' PRO . 98.1 m95 -71.25 -37.9 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 111.69 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.82 -12.98 61.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.986 0.422 . . . . 0.0 111.622 -169.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -95.69 -9.48 31.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.979 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.507 ' HA ' HD21 ' A' ' 29' ' ' LEU . 48.0 mt -53.76 -51.58 42.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.272 -174.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.501 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 1.0 OUTLIER -58.85 -43.46 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -64.99 -58.57 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.186 0.517 . . . . 0.0 110.771 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.71 -39.28 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.209 -176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.2 94.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.438 0.161 . . . . 0.0 110.797 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' HA ' ' HE3' ' B' ' 41' ' ' MET . 37.3 tt0 -64.6 -56.61 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.87 -47.2 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.196 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 m -67.27 -44.78 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.874 -177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -60.85 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.935 0.398 . . . . 0.0 110.387 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 2.9 mm-40 -66.22 -42.4 88.77 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.994 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.34 93.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' HE1' ' HD2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.46 -32.82 74.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.037 0.446 . . . . 0.0 109.832 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 28.5 ttt180 -70.34 -42.78 71.45 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.878 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 27.3 mm-40 -59.83 -32.04 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.318 . . . . 0.0 110.57 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.83 -37.13 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 110.048 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.45 -37.76 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.492 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -55.29 -40.14 70.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 109.777 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 66.8 t80 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.081 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -60.68 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -59.08 -51.63 69.19 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.647 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 19.4 m -62.77 -49.56 74.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.525 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.6 m -64.81 -45.7 85.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.1 94.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -76.44 -28.65 56.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.693 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.96 -41.32 36.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.146 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.61 -11.81 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.95 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 71.35 19.32 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.405 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -114.08 93.63 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.509 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -63.36 125.79 25.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.23 70.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.984 0.802 . . . . 0.0 110.474 -175.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -116.25 137.24 52.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.853 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.012 173.515 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -128.93 152.17 48.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 73.5 115.75 0.06 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.836 0.826 . . . . 0.0 111.366 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 160.56 21.65 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.983 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.28 63.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.537 0.208 . . . . 0.0 111.268 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -60.61 -49.87 75.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.916 0.388 . . . . 0.0 110.994 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.35 -35.79 80.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.95 -48.43 71.34 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.14 -40.01 93.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.36 90.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.87 -47.83 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.546 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 -42.37 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.94 -50.27 73.12 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.29 -48.66 80.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.416 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.92 -50.99 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.014 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.12 99.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.353 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -61.57 -47.97 83.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.22 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.879 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 39.6 m -60.35 -42.17 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.968 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.19 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -33.28 74.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.436 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' B' ' 23' ' ' LYS . 35.5 ttpt -53.0 -51.27 62.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 0.0 110.551 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -76.1 -35.51 59.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.626 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.02 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.057 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 33' ' ' LEU . 7.4 tt -63.7 -49.75 71.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -66.18 -36.27 82.64 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.85 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.64 -42.45 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.389 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.08 -44.89 83.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.866 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.5 68.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.367 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.3 -25.46 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.251 0.548 . . . . 0.0 110.014 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -98.88 25.22 6.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.357 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.97 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.0 mt -43.83 174.13 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.97 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.04 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.395 1 C-N-CA 126.106 4.538 . . . . 0.0 118.014 -145.323 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.574 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -129.32 134.43 47.91 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 159.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.77 72.51 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.258 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -58.09 -36.73 73.29 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 111.039 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -64.8 -22.39 66.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.533 . . . . 0.0 110.985 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.484 ' HG3' HG22 ' B' ' 43' ' ' VAL . 18.4 tpt180 -78.15 -16.39 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.442 HD12 HD23 ' B' ' 33' ' ' LEU . 56.6 mt -53.67 -51.79 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.388 -175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.531 ' HE3' ' HA ' ' A' ' 45' ' ' GLU . 55.9 tpp -58.22 -52.77 64.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.399 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.516 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 29.4 tt0 -56.97 -54.21 49.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.483 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' B' ' 39' ' ' ARG . 68.0 t -62.51 -46.89 95.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.2 -53.26 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.873 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.516 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.4 mtmt -67.34 -33.08 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.218 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.1 m -66.73 -44.05 82.57 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.297 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.37 -51.73 67.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.045 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.37 -37.54 78.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.894 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.71 72.14 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -65.96 -35.43 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -60.36 -52.67 64.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.368 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -62.81 -30.94 71.86 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.331 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.921 0.391 . . . . 0.0 110.232 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.37 -42.93 78.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.35 -28.5 68.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 111.32 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.4 -41.35 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -64.08 -38.77 92.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.762 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -55.66 -51.76 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.229 0.538 . . . . 0.0 110.121 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.6 t -59.22 -55.35 36.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.232 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' B' ' 65' ' ' GLU . 11.3 t -66.36 -20.33 66.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.704 -174.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.17 -46.2 21.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.01 0.433 . . . . 0.0 110.52 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -67.21 -42.14 84.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.7 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.47 -15.45 58.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.061 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' B' ' 61' ' ' THR . 36.6 tt0 -78.2 -10.41 59.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.217 0.532 . . . . 0.0 109.659 175.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 72.0 t60 72.4 2.45 4.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.509 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -84.24 54.77 3.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.764 -173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -78.8 51.23 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.803 0.811 . . . . 0.0 110.329 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -143.4 136.54 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.871 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -102.91 2.03 34.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 19.9 t60 . . . . . 0 C--O 1.252 1.187 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.48 -179.231 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t 65.49 162.09 0.14 Allowed 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.673 0.608 . . . . 0.0 110.159 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -160.6 118.63 2.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.224 0.535 . . . . 0.0 110.201 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.01 156.34 17.38 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.666 -173.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.24 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.336 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.43 -39.04 89.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.569 0.699 . . . . 0.0 109.786 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 24.9 tp -60.58 -51.3 70.01 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -70.04 -36.91 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.081 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.58 90.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -70.95 -40.79 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.879 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.62 -43.11 89.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -53.19 -53.56 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -55.51 -53.14 60.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.749 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.71 -37.94 88.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.01 -47.38 80.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.62 80.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.23 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.378 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.24 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 m -63.86 -38.93 92.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.934 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HA ' ' HE2' ' A' ' 24' ' ' MET . . . -62.79 -36.2 82.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.038 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.7 mm? -81.99 -28.98 32.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.318 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HG3' ' HH ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.07 -43.66 97.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 21' ' ' ALA . 27.2 ptt? -75.2 -26.27 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.755 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.94 -49.34 58.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 109.864 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD21 HD12 ' B' ' 33' ' ' LEU . 66.1 tp -64.01 -42.76 97.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.436 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -59.42 -39.33 83.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.69 -44.09 67.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.59 -32.24 67.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.06 66.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 -44.26 12.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.289 0.566 . . . . 0.0 109.517 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -88.86 66.75 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.839 0.828 . . . . 0.0 109.642 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.4 mt -87.32 171.18 10.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.0 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.835 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 12.4 Cg_exo -2.3 120.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 124.822 3.681 . . . . 0.0 115.323 -136.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 167.82 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.393 -2.64 . . . . 0.0 106.499 -176.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.83 31.72 2.79 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 114.119 -1.401 . . . . 0.0 111.279 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 60.5 p-90 -63.72 -13.89 47.47 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.039 0.536 . . . . 0.0 112.35 -176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 62.5 t30 -68.18 -20.95 64.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.376 0.608 . . . . 0.0 109.853 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -97.02 4.83 51.28 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.189 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.524 HG13 ' HA ' ' A' ' 37' ' ' TRP . 47.3 mt -57.84 -44.86 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.4 tpp -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.903 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 25.6 tt0 -61.47 -55.35 32.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.286 0.565 . . . . 0.0 110.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.523 HG11 ' HA ' ' A' ' 26' ' ' LEU . 40.7 t -61.06 -39.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.149 -177.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -59.9 -47.06 87.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.042 0.448 . . . . 0.0 110.493 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.61 -50.61 72.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.582 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 43' ' ' VAL . 54.8 mtmt -56.51 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 m -65.17 -43.93 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.4 t80 -68.95 -41.62 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.731 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.55 -49.57 74.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.39 68.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.509 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HH ' ' HG3' ' A' ' 23' ' ' LYS . 7.3 m-85 -66.56 -33.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.766 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HA ' ' CH2' ' B' ' 37' ' ' TRP . 50.4 ttt85 -62.95 -50.6 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.313 175.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 8.5 tp-100 -63.9 -35.65 81.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.382 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.66 -50.25 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.12 -40.0 93.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.75 -37.53 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.901 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 10.3 t80 -70.67 -35.66 72.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.351 0.596 . . . . 0.0 109.982 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -69.48 -37.89 77.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -56.93 -47.84 79.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.69 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -68.6 -44.26 74.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.003 0.43 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m -61.3 -43.53 98.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.23 73.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.597 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 t -64.63 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.325 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.76 -35.31 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.485 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -77.85 -16.19 58.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.676 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 61.04 72.36 0.52 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.619 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -87.04 106.94 18.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.854 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -92.59 98.56 11.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.373 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -66.67 136.61 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -116.37 126.08 52.97 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -167.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 C--O 1.25 1.13 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 166.267 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m -104.91 154.18 20.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.393 . . . . 0.0 111.166 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.96 178.44 7.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.55 -175.46 15.78 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.579 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.87 -18.17 63.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.54 -55.88 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.93 -32.83 65.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 109.636 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.5 -44.17 84.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.108 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.59 -53.66 54.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.018 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.83 88.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.002 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.7 -44.2 64.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.032 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.85 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.73 -48.63 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.288 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -55.75 -54.38 45.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.398 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.517 ' HB3' HD12 ' B' ' 54' ' ' LEU . 4.3 mm? -63.95 -41.39 97.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.543 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.77 -46.01 92.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 109.971 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.06 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.2 -51.18 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.19 85.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -70.29 -39.62 74.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.363 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.42 87.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.11 -32.53 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.654 ' HG3' HD12 ' A' ' 33' ' ' LEU . 86.0 tttt -61.63 -47.81 83.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.189 0.519 . . . . 0.0 110.373 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.55 -38.19 86.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.808 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.66 -40.23 76.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.68 -52.0 65.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.376 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -62.52 -36.2 81.82 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.076 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.9 -45.73 91.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.527 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -75.18 -26.67 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.816 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.92 -26.8 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.261 0.553 . . . . 0.0 109.725 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -107.35 26.7 9.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.184 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.818 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.2 mt -45.25 168.74 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.818 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 11.4 Cg_exo 0.69 122.72 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.691 0 C-N-CA 125.164 3.909 . . . . 0.0 115.804 -134.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m 167.06 -43.13 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 111.165 -2.743 . . . . 0.0 106.052 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.76 33.52 2.46 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.545 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.606 ' HA ' HG13 ' B' ' 40' ' ' ILE . 62.3 p-90 -65.1 -14.54 60.75 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.399 0.68 . . . . 0.0 112.281 -175.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 49.4 t30 -64.19 -23.85 67.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.314 0.578 . . . . 0.0 110.147 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -101.23 3.93 41.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.438 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.606 HG13 ' HA ' ' B' ' 37' ' ' TRP . 70.1 mt -53.21 -52.1 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.681 0.277 . . . . 0.0 111.306 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 53.2 ttm -63.62 -46.2 86.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.701 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.13 -50.23 73.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.43 -50.63 79.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.43 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.413 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.7 mt-10 -55.23 -55.57 29.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.881 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 11.9 mptt -68.04 -32.11 72.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 m -62.46 -45.86 91.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.416 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 54.5 t80 -66.69 -44.19 82.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 46.3 mt-10 -57.55 -47.05 83.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.049 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.43 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.399 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' B' ' 23' ' ' LYS . 28.6 m-85 -66.33 -40.41 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.504 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.32 -51.16 70.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.449 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.67 -35.66 80.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' B' ' 15' ' ' LEU . 64.9 tp -61.93 -47.6 84.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.719 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 11.7 t70 -75.49 -32.98 60.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.505 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.86 -42.69 99.35 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.027 0.442 . . . . 0.0 109.901 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.53 -44.36 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.726 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.1 mmp_? -58.41 -44.24 88.94 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.228 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.0 mmtt -62.26 -51.06 69.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.259 0.552 . . . . 0.0 110.108 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -61.72 -44.48 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.787 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -59.07 -57.13 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.31 64.2 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.482 0.489 . . . . 0.0 111.594 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 40.3 m -64.45 -50.84 65.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.337 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -79.9 -25.56 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.391 0.615 . . . . 0.0 110.082 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' B' ' 66' ' ' HIS . 26.6 tt0 -67.52 -15.15 63.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.641 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 70.1 t60 74.17 6.0 4.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.753 -173.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 60.02 96.35 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.834 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -78.63 164.14 24.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.036 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -107.57 157.59 17.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 172.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.67 124.38 20.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 48.3 t60 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.758 -179.532 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.52 0.2 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -90.0 142.74 27.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -152.29 149.94 29.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.01 123.59 5.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.009 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.08 -26.8 68.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.712 0.291 . . . . 0.0 111.096 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.08 -50.89 70.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.78 -38.39 88.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.997 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.5 -51.45 68.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -65.11 -43.1 93.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.915 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.64 83.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -72.33 -44.48 62.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.4 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -43.37 95.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.12 -49.66 77.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.639 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -54.53 -51.29 65.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.395 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -66.95 -37.04 83.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.026 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.47 -47.87 83.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.619 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.36 94.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.942 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.56 -47.87 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.726 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -61.97 -41.35 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.629 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.17 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.63 -28.1 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.312 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 66.5 tttm -59.68 -47.89 83.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -75.32 -24.57 57.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.4 -52.98 18.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 110.298 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.77 -36.98 84.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -52.65 -52.8 54.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.241 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -66.91 -35.34 79.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.745 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.59 -31.7 57.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.34 -39.57 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.58 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.5 pt-20 -72.32 -38.67 68.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 19.2 t70 -105.75 77.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.799 0.809 . . . . 0.0 110.433 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.989 HD12 ' HG3' ' B' ' 23' ' ' LYS . 8.2 mt -79.21 178.1 2.5 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.806 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 2.0 Cg_exo 6.53 122.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.885 1 C-N-CA 126.011 4.474 . . . . 0.0 115.939 -133.044 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 179.58 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.187 -2.733 . . . . 0.0 107.116 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.76 60.56 0.66 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 111.397 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' HE3' ' HA ' ' A' ' 34' ' ' PRO . 12.6 p90 -63.48 -20.67 65.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 111.402 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.525 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 7.3 t30 -70.4 -31.27 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.098 0.475 . . . . 0.0 109.922 176.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.027 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.5 mt -51.76 -50.28 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.476 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.8 ttm -65.36 -40.35 93.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.079 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HG2' ' HD3' ' A' ' 46' ' ' LYS . 26.5 tt0 -62.24 -57.2 12.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.52 -44.08 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.69 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HB3' HG23 ' B' ' 40' ' ' ILE . . . -59.38 -46.59 88.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.295 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.27 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 0.0 110.474 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.52 ' HD3' ' HG2' ' A' ' 42' ' ' GLU . 44.1 mtpt -62.45 -35.92 80.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.916 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.42 ' O ' ' HD1' ' A' ' 51' ' ' TYR . 87.1 m -66.7 -49.59 65.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 60.3 t80 -60.82 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.975 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.43 -34.39 76.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.332 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.52 67.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 47' ' ' THR . 50.0 m-85 -66.3 -32.73 74.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -58.06 -56.54 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.652 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -63.46 -37.37 87.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.228 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.26 -51.97 65.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 36.4 t70 -70.68 -30.82 67.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.275 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.17 -53.16 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.74 -37.58 87.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' HA ' HG23 ' A' ' 61' ' ' THR . 46.5 ttt85 -70.56 -40.48 73.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.719 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.743 ' HZ1' ' HB2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -51.89 -53.85 36.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.362 0.601 . . . . 0.0 110.78 176.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -56.03 -55.54 31.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.302 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 58' ' ' ARG . 11.3 t -68.19 -31.0 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.736 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.49 -27.36 64.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 110.773 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -71.87 -44.21 64.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.887 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.73 -28.78 62.86 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.93 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -71.79 -13.92 61.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.208 0.528 . . . . 0.0 109.877 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 66.99 23.49 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.58 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -84.57 -27.3 27.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.318 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -115.03 100.51 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.095 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -167.58 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.927 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.17 132.8 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.1 m170 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.59 174.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.625 0.25 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' B' ' 3' ' ' GLU . 22.1 m -121.71 169.6 10.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' B' ' 2' ' ' SER . 31.9 tt0 74.43 146.87 0.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.879 0.737 . . . . 0.0 110.48 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.54 -166.37 31.73 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.835 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -59.15 -25.6 64.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.17 -48.56 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 109.968 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.24 -37.29 83.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.477 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.443 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 84.8 mt -63.94 -46.22 85.69 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 12.2 mptt -66.44 -38.61 87.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.85 88.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.502 . . . . 0.0 110.645 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -68.44 -45.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.909 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.7 -42.65 99.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.538 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -58.52 -47.2 84.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 110.561 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -58.61 -47.58 83.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' B' ' 53' ' ' GLN . 9.5 mp -66.83 -41.37 87.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.87 -47.68 84.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.848 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.32 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.323 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -72.9 -46.04 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 110.491 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.203 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 64.8 m -65.68 -37.51 86.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.929 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.42 -49.52 73.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.82 -36.59 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.989 ' HG3' HD12 ' A' ' 33' ' ' LEU . 84.4 tttt -55.79 -55.11 36.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.292 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 22.6 ptm -72.53 -32.24 65.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.46 -43.92 79.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.159 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.82 -43.51 83.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -53.84 -52.61 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.663 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.13 -35.06 79.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.687 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.45 -43.54 66.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.56 -22.41 66.69 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.24 0.543 . . . . 0.0 111.205 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.36 29.72 7.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.638 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.687 ' HG ' ' HA ' ' B' ' 30' ' ' ALA . 6.2 mt -40.41 176.68 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.611 ' HA ' ' HB3' ' B' ' 37' ' ' TRP . 0.2 OUTLIER 20.19 -91.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.685 0 C-N-CA 123.646 2.898 . . . . 0.0 113.633 -126.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 32.01 -83.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -167.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 34' ' ' PRO . . . -111.37 47.85 1.0 Allowed Glycine 0 C--N 1.333 0.412 0 N-CA-C 112.276 -0.33 . . . . 0.0 112.276 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.611 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 27.7 p90 -60.99 -21.08 63.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.405 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 66.8 t30 -65.86 -23.44 66.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 0.0 110.27 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -94.43 1.63 55.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.008 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.559 HG13 ' HA ' ' B' ' 37' ' ' TRP . 62.2 mt -56.01 -44.39 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.27 -38.2 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.75 -54.97 38.76 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.045 0.45 . . . . 0.0 110.303 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.9 t -56.69 -49.26 78.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.477 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.53 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.21 -50.45 73.6 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.193 0.521 . . . . 0.0 110.797 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.325 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -69.28 -46.44 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.365 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 74.8 t80 -61.11 -48.31 82.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.58 -47.26 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.422 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.563 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -73.01 -33.72 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.42 -50.91 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' B' ' 15' ' ' LEU . 0.0 OUTLIER -65.41 -34.11 77.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.4 -50.7 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.665 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 31.8 t70 -63.75 -38.03 89.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.799 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' B' ' 59' ' ' LYS . 5.5 mm-40 -69.8 -43.66 71.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.014 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.443 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 66.4 t80 -68.25 -33.44 74.39 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.65 -50.61 71.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.568 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 1.6 ptmm? -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.41 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 30.9 m -61.63 -50.86 70.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.294 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -70.87 -25.0 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.77 69.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -74.38 -25.55 59.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.723 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.93 -47.36 7.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -88.02 5.22 41.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.449 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -50.16 -59.14 4.22 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.365 0.416 . . . . 0.0 111.088 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -130.31 101.53 5.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.135 0.493 . . . . 0.0 109.889 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -61.54 127.66 32.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.043 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -106.22 -51.66 2.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 68.3 124.03 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.28 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 62.0 m170 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.047 176.332 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m 72.52 -5.94 1.71 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.404 0.682 . . . . 0.0 112.538 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.06 109.95 20.25 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.674 0.75 . . . . 0.0 110.445 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 136.44 27.72 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.922 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -21.89 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.606 -0.297 . . . . 0.0 111.52 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.03 -45.32 77.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.267 0.556 . . . . 0.0 110.118 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.81 -31.97 71.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.934 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.15 -43.62 98.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.163 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.67 -40.63 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.361 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.44 87.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.777 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.69 -49.61 75.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -57.69 -43.61 85.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.725 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -57.07 -48.41 78.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.479 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -54.81 -49.99 69.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.969 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' HB3' ' HG ' ' A' ' 54' ' ' LEU . 4.0 mm? -68.26 -42.28 79.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.54 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.83 -51.45 69.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.73 97.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.55 -49.84 71.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.27 93.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -72.9 -40.22 65.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.599 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.65 91.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 111.123 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.4 mm? -67.86 -26.64 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.791 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -61.32 -55.65 29.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -67.02 -31.52 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.53 -39.93 85.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.037 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' HB2' HG11 ' A' ' 43' ' ' VAL . 63.3 tp -72.72 -43.55 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.868 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 37.2 t-80 -58.85 -44.82 91.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.44 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 0.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.9 tp -78.19 -37.94 44.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.911 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.79 62.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.523 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 57.7 mt-10 -75.35 -45.57 38.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.724 0.297 . . . . 0.0 110.654 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.38 80.19 2.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.741 0.781 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.676 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -68.96 -179.72 0.58 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 113.965 -1.47 . . . . 0.0 113.675 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.676 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.28 -84.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.586 0 C-N-CA 124.492 3.462 . . . . 0.0 113.961 -130.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m 24.83 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.42 43.43 1.72 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.056 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.473 ' HA ' HG13 ' A' ' 40' ' ' ILE . 49.2 p-90 -54.6 -24.72 22.45 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.882 0.873 . . . . 0.0 112.42 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.443 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 21.0 t-20 -63.04 -25.43 68.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.461 . . . . 0.0 110.587 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 39' ' ' ARG . 43.8 ttt-85 -93.9 -3.22 52.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.378 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG13 ' HA ' ' A' ' 37' ' ' TRP . 62.3 mt -55.64 -43.17 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.526 -177.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -57.45 -44.71 84.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.82 -58.63 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.857 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' A' ' 26' ' ' LEU . 9.9 t -56.8 -44.29 81.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.129 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.04 84.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.731 0.3 . . . . 0.0 111.067 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.2 -49.22 78.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.033 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -67.24 -37.62 83.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.412 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 84.8 m -63.52 -46.73 84.69 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -53.95 52.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.808 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 23.2 mm-40 -58.57 -36.84 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.68 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.77 65.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.767 0.317 . . . . 0.0 111.07 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -72.52 -33.53 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.808 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 8.9 ptm180 -66.57 -41.94 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.094 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -69.08 -40.37 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -59.15 -45.46 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.328 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -67.01 -43.18 83.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.669 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.61 -43.78 97.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.349 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -59.96 -47.77 84.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -60.61 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m -64.57 -43.14 94.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.202 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.6 m -68.24 -45.46 73.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.21 98.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.18 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -70.48 -25.12 63.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.096 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -81.72 -45.22 15.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.181 -178.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.94 -9.77 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 68.8 30.22 4.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.696 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.35 74.81 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.304 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -119.54 145.1 46.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.477 -173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -99.12 139.35 34.89 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -137.26 79.26 1.74 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.985 0.422 . . . . 0.0 110.295 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.234 -0.889 . . . . 0.0 109.347 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.423 ' C ' ' H ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m 71.57 -5.79 1.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.35 0.66 . . . . 0.0 112.102 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' B' ' 1' ' ' MET . 11.5 pt-20 -149.8 -171.51 3.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.186 175.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.66 140.74 3.2 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.844 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -24.69 67.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.86 -56.52 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.738 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.34 -29.56 65.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.308 0.575 . . . . 0.0 110.185 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.04 -38.41 85.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.739 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -76.07 -32.59 59.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.65 96.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.203 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -62.43 -46.43 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.151 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.186 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.32 -48.04 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -52.95 -46.92 68.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.027 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.82 -43.12 76.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -61.1 -47.61 85.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.27 97.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.5 -48.34 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.498 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.081 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.86 -37.83 82.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.71 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.405 ' HA ' HD11 ' B' ' 22' ' ' LEU . 4.2 mm? -68.43 -31.07 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 86.6 tttt -54.19 -51.27 64.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.751 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 49.4 ttm -75.17 -37.69 61.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.668 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.45 -44.49 90.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.96 -45.92 76.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.793 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 36.4 t-80 -64.11 -41.44 97.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.718 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.13 -41.44 88.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.536 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.88 -38.54 79.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.976 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.12 83.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 40.2 mm-40 -73.19 -22.51 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -113.32 26.15 10.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.7 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.847 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.0 mt -42.48 168.65 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.847 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.6 Cg_exo -0.32 122.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.697 0 C-N-CA 125.108 3.872 . . . . 0.0 115.81 -135.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.668 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 11.0 m 169.79 -60.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 111.505 -2.588 . . . . 0.0 107.24 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.73 26.49 5.66 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.809 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.672 ' CD1' ' HA ' ' B' ' 34' ' ' PRO . 25.1 p-90 -64.32 -10.94 27.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.088 0.555 . . . . 0.0 111.908 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.93 -13.62 61.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.281 0.563 . . . . 0.0 110.085 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -103.73 2.05 32.51 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.802 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 tt -60.97 -35.88 68.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 97.0 mmm -64.76 -51.81 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.648 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.498 ' HA ' ' OE1' ' B' ' 45' ' ' GLU . 29.5 tt0 -57.16 -45.94 83.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.338 0.589 . . . . 0.0 110.878 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.85 -44.96 98.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.451 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.06 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.07 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' B' ' 41' ' ' MET . 57.5 mt-10 -53.99 -57.74 9.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.724 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -40.34 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.349 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.4 m -60.53 -50.43 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.443 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 30.6 t80 -61.66 -48.4 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 33.6 mt-10 -59.35 -44.91 92.61 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.32 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.67 93.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.492 ' HH ' HD13 ' A' ' 33' ' ' LEU . 33.4 m-85 -66.4 -38.84 88.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 110.332 177.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -58.35 -53.2 61.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.582 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 93.5 mt-30 -61.84 -38.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.183 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.48 -49.97 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.5 -43.25 94.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.4 -42.44 99.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.696 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.34 -43.89 96.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.87 0.366 . . . . 0.0 110.014 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.7 mmp_? -61.56 -47.89 83.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.185 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.13 -44.17 97.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.414 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -68.99 -44.91 71.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.242 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -65.36 -45.53 83.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.28 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -64.84 -44.67 89.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.2 mm? -76.98 -29.76 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -17.27 61.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.584 0.707 . . . . 0.0 110.172 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.95 -13.83 58.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.719 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -56.8 -67.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m170 57.38 -172.71 0.09 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.622 0.725 . . . . 0.0 111.736 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -98.29 139.97 33.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.743 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -163.98 134.83 4.43 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.583 -0.723 . . . . 0.0 109.646 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -88.19 155.59 19.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.34 105.01 16.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.639 0.733 . . . . 0.0 110.829 -175.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 8' ' ' LEU . . . -143.02 170.93 25.12 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.49 -51.3 70.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -66.72 -46.77 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.121 0.486 . . . . 0.0 110.368 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.32 -40.16 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.016 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 2.1 tt -58.41 -52.23 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.449 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -64.57 -45.7 85.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.084 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.18 97.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.708 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.1 tpmt? -69.5 -47.02 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.5 tp -57.72 -46.36 84.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.093 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.17 -50.39 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -63.51 -47.09 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.112 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' CD2' ' HE2' ' A' ' 11' ' ' LYS . 3.9 mm? -66.72 -41.19 88.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.423 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -60.09 -45.83 91.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.234 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.71 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.794 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -59.13 -52.17 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -64.07 -41.73 97.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.754 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.69 92.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -37.1 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.77 -38.97 76.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.737 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -75.08 -46.35 35.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.001 0.429 . . . . 0.0 110.52 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.08 -47.62 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.239 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.71 -41.96 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -62.42 -37.46 85.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.407 . . . . 0.0 110.555 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.97 -37.73 61.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.029 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD23 HG23 ' A' ' 43' ' ' VAL . 49.1 tp -69.33 -39.45 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 110.461 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -25.66 68.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.745 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.13 -40.5 59.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.085 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.25 33.39 0.98 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.334 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.985 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.5 mt -53.44 175.08 0.14 Allowed Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.931 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.985 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.66 20.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.353 1 C-N-CA 126.127 4.551 . . . . 0.0 117.983 -146.131 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.56 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -129.21 146.48 51.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 162.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.5 14.36 27.44 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.812 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.51 ' HB2' ' HD2' ' B' ' 51' ' ' TYR . 35.8 p90 -54.06 -24.98 19.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.15 0.58 . . . . 0.0 112.541 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.83 -21.19 66.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -103.74 3.5 34.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.615 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.48 HG13 ' HA ' ' A' ' 37' ' ' TRP . 74.9 mt -58.69 -45.88 90.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.895 0.379 . . . . 0.0 110.486 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.523 ' HE1' ' HA ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -57.52 -48.49 79.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.0 tt0 -58.49 -56.08 26.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.486 HG23 HD23 ' A' ' 29' ' ' LEU . 62.1 t -61.51 -41.73 91.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.64 98.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 110.614 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.26 -49.3 78.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.315 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.4 mtmt -64.02 -37.92 89.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.441 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -67.89 -45.28 74.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 0.0 110.545 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 86.1 t80 -60.41 -46.58 89.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.74 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 17.6 tp10 -61.11 -39.06 88.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.757 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.34 -54.27 42.92 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.761 176.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -63.35 -40.8 98.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.74 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 5.6 ptm180 -64.22 -42.37 96.6 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 19.4 tp60 -72.07 -33.76 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.428 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 15' ' ' LEU . 2.0 mp -54.48 -51.98 63.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.963 0.411 . . . . 0.0 110.657 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.61 -44.26 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.674 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 30.0 mt-10 -62.1 -38.0 87.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.87 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 82.2 t80 -70.1 -41.81 73.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -64.66 -46.46 82.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.617 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 8.9 ptmt -67.53 -29.39 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.065 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -79.88 -56.54 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.042 0.448 . . . . 0.0 110.626 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.477 HG22 ' HG ' ' A' ' 8' ' ' LEU . 32.3 m -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.44 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.16 -28.65 69.55 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 121.898 -0.501 . . . . 0.0 110.127 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 m -70.86 -39.64 72.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.98 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.79 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.866 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.98 -5.69 40.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 64.49 28.73 13.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.978 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -93.03 -48.46 6.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.192 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.39 121.29 14.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.652 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -73.9 152.83 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.998 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -117.2 93.78 4.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.3 t60 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.562 -0.732 . . . . 0.0 109.914 -178.506 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 121.059 0.456 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -146.75 133.57 20.1 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.52 104.09 16.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.714 0.769 . . . . 0.0 110.686 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.88 137.82 7.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.767 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.28 -26.4 64.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.22 -44.52 62.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -57.87 -43.46 86.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.91 -47.27 81.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.843 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.64 -49.4 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.76 92.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.03 -43.32 71.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -65.37 -38.43 90.01 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.799 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -57.91 -44.4 86.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -61.69 -52.22 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.628 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.04 -46.24 90.17 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.523 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.76 -44.45 90.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.876 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.97 90.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.487 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 26.8 tt0 -60.44 -44.55 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.497 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.402 ' HB2' ' HE1' ' B' ' 51' ' ' TYR . . . -62.53 -47.08 85.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.33 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.437 HG21 ' HE1' ' B' ' 24' ' ' MET . 47.3 m -63.53 -38.96 93.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.731 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.37 94.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 94.0 mt -66.04 -42.13 89.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.486 ' HG2' HD12 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -55.63 -43.02 75.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.016 0.436 . . . . 0.0 109.997 176.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.437 ' HE1' HG21 ' B' ' 20' ' ' THR . 68.0 mtt -68.18 -47.41 68.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.03 -39.79 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.507 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.2 -44.92 93.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 0.0 110.3 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.23 -33.4 73.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.65 -42.39 86.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 tp -68.87 -33.68 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -26.75 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.695 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.27 -22.43 28.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.418 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.76 23.55 6.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.981 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.991 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.2 mt -51.8 173.61 0.13 Allowed Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 17.91 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.638 1 C-N-CA 127.169 5.246 . . . . 0.0 119.068 -148.534 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.53 ' H ' ' C ' ' B' ' 33' ' ' LEU . 2.0 p -129.19 132.56 47.31 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 160.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.62 18.18 69.78 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.556 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -57.29 -21.65 36.24 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.181 0.491 . . . . 0.0 111.738 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -63.58 -22.99 67.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -77.74 -18.22 56.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.351 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.93 -48.08 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.59 ' HE2' ' HA ' ' B' ' 41' ' ' MET . 9.3 mmt -60.12 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 111.404 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -67.74 -54.93 15.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.155 0.503 . . . . 0.0 110.427 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.3 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.268 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.17 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.46 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -72.37 -31.46 65.6 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.994 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' B' ' 46' ' ' LYS . 7.7 tppt? -64.22 -49.17 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.841 175.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.404 ' HA ' HD13 ' B' ' 22' ' ' LEU . 56.6 m -62.55 -44.62 95.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.339 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.93 -50.1 74.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.121 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -49.49 76.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 0.0 110.566 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.78 98.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.692 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.51 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 13.2 m-30 -69.02 -44.16 73.29 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.04 -51.69 65.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 110.685 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.61 -29.6 70.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.359 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.97 -46.12 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.717 0.294 . . . . 0.0 110.212 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.98 -43.17 93.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.084 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.94 -35.47 81.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.406 ' O ' HG21 ' B' ' 61' ' ' THR . 78.5 t80 -63.37 -45.05 92.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -47.19 84.79 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -56.03 -49.95 72.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.123 0.487 . . . . 0.0 111.035 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -63.48 -51.24 66.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.071 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.406 HG21 ' O ' ' B' ' 57' ' ' PHE . 11.1 t -73.43 -34.56 65.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.772 -173.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.47 -34.87 79.2 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.49 0.586 . . . . 0.0 111.26 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 35.8 m -64.91 -33.99 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.455 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.0 mm? -91.7 -20.43 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.39 -14.19 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.2 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 70.12 20.72 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.92 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.6 m170 69.95 -44.25 0.55 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.921 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -95.03 104.27 16.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' B' ' 70' ' ' HIS . 9.3 t-160 -74.18 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.362 -173.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 69' ' ' HIS . 50.5 t-80 173.13 159.21 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.622 174.277 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.987 0.422 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -88.06 -2.3 58.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.291 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 83.73 121.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.257 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.9 134.39 10.79 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.328 -169.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.64 63.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.836 0.35 . . . . 0.0 110.29 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -65.11 -48.5 73.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.425 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.3 mp0 -62.18 -40.77 97.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.135 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 61' ' ' THR . 2.2 tt -60.72 -47.72 85.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.145 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -61.92 -45.48 93.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.976 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.96 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.844 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HE3' ' OE1' ' A' ' 53' ' ' GLN . 1.1 tmtm? -68.17 -49.08 63.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.809 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.14 -39.95 94.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -58.02 -50.61 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.14 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 1.3 tppp? -58.21 -47.05 84.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.142 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 54' ' ' LEU . 78.7 mt -61.51 -46.6 89.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.581 0.229 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.03 -48.57 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 109.931 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.22 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.44 -45.69 91.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.496 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.43 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -72.3 -40.57 67.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.706 ' HA ' ' HE3' ' A' ' 24' ' ' MET . . . -63.13 -45.65 90.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.945 0.402 . . . . 0.0 110.71 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt -69.01 -31.85 70.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.7 ' HG2' HD13 ' B' ' 33' ' ' LEU . 13.9 tmtt? -63.17 -49.85 72.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.706 ' HE3' ' HA ' ' A' ' 21' ' ' ALA . 27.0 ptt? -70.65 -28.02 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.744 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.99 -41.07 64.69 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD21 HD22 ' B' ' 33' ' ' LEU . 58.2 tp -63.48 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.514 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.49 -43.16 86.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.89 -39.28 88.69 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD21 HD13 ' A' ' 26' ' ' LEU . 51.7 tp -60.06 -44.56 94.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.288 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.3 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.12 -22.64 48.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.503 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.45 40.21 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.547 0.689 . . . . 0.0 110.772 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.93 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.0 mt -60.45 167.91 2.8 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.547 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.93 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 1.3 Cg_exo 3.69 133.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.376 1 C-N-CA 126.578 4.852 . . . . 0.0 116.745 -148.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.582 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 63.1 m 97.62 -16.8 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 113.481 -1.691 . . . . 0.0 109.452 -163.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.08 11.45 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.665 171.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.5 p-90 -65.14 -27.93 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -79.35 -19.13 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.375 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HD2' HD12 ' A' ' 29' ' ' LEU . 8.6 ttm180 -74.03 -19.01 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.843 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.537 ' HA ' HD23 ' A' ' 29' ' ' LEU . 79.7 mt -55.88 -49.88 72.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.436 -174.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.544 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 1.7 mmt -60.87 -42.98 98.95 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 35.5 tt0 -62.52 -55.67 25.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.06 -49.17 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.99 87.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.995 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HA ' ' HE2' ' B' ' 41' ' ' MET . 2.4 tm-20 -66.09 -53.65 35.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -62.7 -40.41 97.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.713 -177.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 40.0 m -67.09 -47.0 72.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 111.179 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.403 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.5 t80 -63.27 -43.48 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.348 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.73 -36.51 84.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.11 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.76 87.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.821 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -63.8 -40.19 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -66.28 -47.05 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.861 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' OE1' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.06 -35.39 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.498 ' HA ' HD11 ' A' ' 15' ' ' LEU . 52.9 tp -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 0.0 110.377 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 31.6 t70 -68.45 -44.07 75.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.61 -48.86 71.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.453 0.701 . . . . 0.0 111.224 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -66.39 -34.67 78.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -33.51 75.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.989 177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mmtt -69.77 -43.16 72.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 109.921 175.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -60.63 -45.6 93.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.119 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.534 HG23 HD12 ' A' ' 8' ' ' LEU . 54.4 m -62.36 -36.81 83.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.785 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -36.61 78.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.006 0.431 . . . . 0.0 110.636 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -24.18 67.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.892 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 -40.61 8.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.99 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -69.98 -15.49 63.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.185 -172.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -59.2 -24.86 63.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.391 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 54.68 93.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -79.48 -69.46 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -161.51 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.159 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 66.89 -87.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.693 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.309 -175.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -140.49 145.44 36.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -103.02 115.39 30.5 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.69 126.53 8.51 Favored Glycine 0 C--N 1.309 -0.96 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.383 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.85 -20.75 66.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.94 -53.24 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.446 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -63.68 -37.32 86.9 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.278 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.81 -51.66 68.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.672 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.0 93.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.261 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -75.8 -43.73 44.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.818 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.24 -44.04 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.981 0.419 . . . . 0.0 110.024 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -61.47 -38.85 88.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.772 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.84 -46.85 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.662 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -41.37 96.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.13 -47.65 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.111 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.49 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.03 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.38 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' B' ' 23' ' ' LYS . 51.2 m -73.32 -39.61 65.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.343 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.79 75.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.687 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.13 -28.2 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.648 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' B' ' 20' ' ' THR . 11.2 pttp -69.47 -32.66 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.545 ' HE2' HG21 ' B' ' 20' ' ' THR . 65.7 mtt -69.43 -43.44 73.38 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -47.24 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.662 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.21 -50.17 69.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.523 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 t60 -58.5 -43.66 89.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.05 -38.74 63.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.023 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.506 HD12 ' HA3' ' B' ' 36' ' ' GLY . 38.6 tp -66.27 -37.21 84.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -25.97 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.059 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.22 -22.34 30.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.139 0.495 . . . . 0.0 109.896 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -102.82 24.38 10.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.835 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.997 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -46.89 173.84 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 113.962 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.23 20.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.49 1 C-N-CA 126.163 4.575 . . . . 0.0 117.977 -145.884 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.595 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -128.98 134.84 48.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 159.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.506 ' HA3' HD12 ' B' ' 29' ' ' LEU . . . 73.01 10.37 77.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.555 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p90 -54.68 -29.52 53.09 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.018 0.527 . . . . 0.0 112.306 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.403 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.2 t-20 -74.96 -18.46 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 110.371 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -102.01 3.09 38.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.39 -50.76 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.956 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' A' ' 45' ' ' GLU . 54.6 ttm -65.65 -34.98 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 33.0 tt0 -59.29 -55.02 40.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.903 0.383 . . . . 0.0 110.928 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.28 -51.85 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.52 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 40' ' ' ILE . . . -54.74 -39.35 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.653 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' B' ' 42' ' ' GLU . 17.8 mt-10 -50.94 -61.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.364 175.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 13.1 mptt -71.43 -33.72 69.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.92 -172.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -63.21 -48.39 78.52 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -67.48 -49.25 64.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.686 0.279 . . . . 0.0 110.998 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.71 ' HA ' ' HG2' ' B' ' 52' ' ' ARG . 30.7 mm-40 -59.8 -35.28 74.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.588 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.68 68.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.38 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.38 -45.15 95.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.48 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.71 ' HG2' ' HA ' ' B' ' 49' ' ' GLU . 2.1 ptm180 -64.59 -41.8 96.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.857 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -72.35 -35.19 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.539 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -49.95 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.6 t70 -67.82 -39.71 83.89 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.817 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -58.69 -48.72 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 111.068 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -63.83 -39.17 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -59.18 -49.68 76.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 25.9 mttm -60.15 -46.45 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.314 0.578 . . . . 0.0 110.48 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -59.17 -56.64 19.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.5 t -65.55 -37.95 88.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.718 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.51 -34.79 78.55 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.963 0.411 . . . . 0.0 111.045 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 15.3 m -73.18 -40.15 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.977 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -74.84 -34.4 62.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.18 -17.2 61.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.561 0.696 . . . . 0.0 110.357 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 66.05 22.77 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.523 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 68.52 103.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.277 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -67.63 165.57 16.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.203 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -104.89 -173.34 2.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.778 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -93.78 112.61 24.51 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.55 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 . . . . . 0 C--O 1.25 1.094 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.396 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 2' ' ' SER . 60.6 mtt . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 1' ' ' MET . 49.8 m 68.93 11.67 8.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.986 0.898 . . . . 0.0 110.457 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.1 162.42 25.38 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.866 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.87 114.47 0.61 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.078 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.2 73.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.57 -44.7 64.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.2 0.524 . . . . 0.0 110.267 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -66.02 -34.84 79.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.423 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.64 -48.55 76.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.68 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.98 -47.01 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.729 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.95 86.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.119 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -65.72 -51.58 58.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.93 -42.0 83.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.469 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.78 -50.46 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -60.79 -42.55 97.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.186 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.17 -44.59 79.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -61.07 -44.36 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.216 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.32 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.904 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.91 -46.03 92.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.618 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.05 88.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.54 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 24' ' ' MET . 50.9 m -67.77 -38.24 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.14 92.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.58 -37.48 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.0 -39.7 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.178 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.3 mmt -63.27 -48.89 76.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.963 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.3 -38.79 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.109 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.78 -39.18 90.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -63.86 -37.35 87.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.78 -44.82 84.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 40' ' ' ILE . 58.2 tp -61.4 -30.17 70.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.12 87.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 110.43 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -85.25 -23.17 28.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.631 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 14.3 t70 -94.41 15.9 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.316 -175.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.987 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.2 mt -58.94 169.63 1.06 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.348 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.987 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 14.83 21.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 126.672 4.914 . . . . 0.0 118.68 -151.532 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.528 ' H ' ' C ' ' A' ' 33' ' ' LEU . 14.8 m -113.15 -48.44 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.971 0.415 . . . . 0.0 109.946 169.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.68 40.28 2.58 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.224 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.436 ' HA ' HG13 ' A' ' 40' ' ' ILE . 37.7 p90 -51.53 -25.42 6.66 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -62.59 -18.82 62.91 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 111.052 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -91.51 -13.8 31.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HA ' HD22 ' A' ' 29' ' ' LEU . 63.7 mt -53.25 -52.31 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -171.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.2 ttm -77.3 -34.85 55.42 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.545 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.74 -58.41 6.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.155 0.503 . . . . 0.0 110.641 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.88 -39.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.67 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.479 ' HB1' HG23 ' B' ' 40' ' ' ILE . . . -59.39 -46.73 87.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.01 178.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.81 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 7.1 ttmm -66.25 -39.85 89.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.861 -176.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 m -66.68 -41.76 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.989 0.423 . . . . 0.0 110.272 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -57.03 -52.91 63.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.237 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.08 -46.99 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.758 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.07 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' B' ' 34' ' ' PRO . 32.5 m-85 -73.0 -35.38 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -64.8 -50.83 65.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.407 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.63 -39.51 91.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.418 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.61 -45.09 92.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.067 0.46 . . . . 0.0 110.913 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 t70 -71.39 -46.54 60.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.39 -36.63 80.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.354 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.58 -41.82 91.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.538 174.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.32 -41.79 84.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.242 178.34 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.2 mmtt -60.34 -52.21 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.468 . . . . 0.0 110.098 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 t -59.99 -45.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.567 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 m -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.9 82.54 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.309 . . . . 0.0 111.556 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.4 m -61.94 -39.08 90.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.351 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.39 -18.84 27.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.457 0.646 . . . . 0.0 110.396 -177.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -73.28 -15.16 61.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.893 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.8 t60 65.95 43.84 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 54.5 t-80 -70.56 -7.96 47.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.336 -172.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 61.9 t60 70.27 84.04 0.14 Allowed 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -173.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 68' ' ' HIS . 54.5 t60 71.85 134.11 0.04 OUTLIER 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.818 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -117.31 113.9 22.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.009 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.423 ' C ' ' HZ1' ' A' ' 59' ' ' LYS . 40.5 t-80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.498 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.94 0.4 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -81.77 147.1 29.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.971 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.26 144.72 46.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.033 0.444 . . . . 0.0 110.215 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.58 123.69 2.81 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.572 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.44 -32.16 73.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.994 0.426 . . . . 0.0 110.806 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.51 -54.88 41.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.019 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.63 -34.29 77.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 26.4 tp -65.72 -44.17 86.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.442 0.639 . . . . 0.0 110.003 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -71.12 -33.11 69.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.847 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.55 96.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.21 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.91 -49.3 78.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.662 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.53 -42.05 82.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.84 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -55.53 -49.97 71.23 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -55.68 -51.07 68.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.239 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.28 -49.77 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.314 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -56.25 -53.51 56.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.36 95.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.518 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.83 -47.11 79.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.74 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.044 0.45 . . . . 0.0 111.19 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -65.36 -39.59 92.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 22' ' ' LEU . 3.5 mm? -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.309 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.37 -31.33 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.379 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.35 -48.88 71.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.174 0.512 . . . . 0.0 109.954 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.99 -38.98 93.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.79 -42.14 97.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.49 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.35 -46.47 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.694 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.57 -34.08 70.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' B' ' 40' ' ' ILE . 60.8 tp -82.87 -49.86 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.283 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.632 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.75 -35.19 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.6 -22.02 61.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 110.297 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -114.61 25.6 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.988 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.5 mt -44.52 175.68 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.424 1.09 . . . . 0.0 113.285 175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.988 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.98 20.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.175 4.583 . . . . 0.0 117.937 -145.41 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -129.39 145.03 51.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 161.017 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.87 11.91 58.83 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.281 -0.485 . . . . 0.0 113.768 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.625 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.5 p90 -56.5 -24.25 44.97 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -65.37 -21.2 66.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.808 0.337 . . . . 0.0 111.008 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -105.12 4.74 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.374 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.625 HG13 ' HA ' ' B' ' 37' ' ' TRP . 48.9 mt -54.48 -46.42 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.586 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.4 -37.29 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.735 -176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.79 -56.45 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.0 0.428 . . . . 0.0 110.567 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.95 -44.64 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.23 78.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.492 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 44.8 tt0 -56.84 -59.29 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.263 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -64.01 -33.97 76.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.32 -177.557 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -63.08 -43.75 97.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.237 0.541 . . . . 0.0 110.227 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.3 -44.98 74.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 47.9 mt-10 -55.67 -50.8 69.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.164 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -47.6 69.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.613 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.3 m-85 -67.7 -31.98 72.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -59.96 -55.06 38.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.97 174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.43 -32.91 74.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.659 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.62 -42.05 98.22 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.2 -40.89 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.651 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.02 -43.09 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 0.0 110.177 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.26 -43.67 97.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.145 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.43 -46.86 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -58.91 -46.56 87.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.827 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.0 t -69.92 -44.18 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.092 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -69.92 -43.25 72.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.71 72.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.049 0.452 . . . . 0.0 110.781 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 30.1 m -66.49 -38.31 86.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.413 HD11 ' O ' ' B' ' 64' ' ' LEU . 2.9 tm? -74.84 -35.61 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.0 -3.51 13.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 0.0 112.338 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -79.25 -10.7 59.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.615 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -118.26 149.78 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.428 -173.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m170 63.23 18.38 10.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -71.31 -59.26 2.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.541 -0.463 . . . . 0.0 109.882 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -169.04 173.82 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.076 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -98.44 143.1 29.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -157.72 139.4 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.21 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.86 -169.5 27.28 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.147 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -68.82 -17.75 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.55 -56.49 19.46 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.39 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.08 -38.56 91.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.316 0.579 . . . . 0.0 109.527 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 1.7 mm? -54.93 -45.83 74.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.994 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 8.0 tppt? -66.52 -50.35 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.18 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.027 0.441 . . . . 0.0 110.996 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -74.97 -42.53 57.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.647 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.56 -39.97 92.28 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.19 -51.83 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.46 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 85.1 mt -63.72 -40.49 96.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.945 -175.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.81 -44.03 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.675 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.6 86.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -57.62 -54.47 46.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.629 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.39 90.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.675 -178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -61.2 -43.46 98.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.151 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.16 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.062 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.33 -33.19 75.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.438 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -58.98 -51.56 69.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.709 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.3 mtm -67.75 -38.61 83.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.941 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.23 -43.21 78.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.19 -37.94 78.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -55.25 -54.15 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.729 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.44 -25.72 63.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.13 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 40' ' ' ILE . 62.0 tp -63.92 -40.77 97.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.155 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.27 -27.04 61.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.45 -25.52 60.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.589 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.97 53.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.003 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.866 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -60.59 169.89 1.63 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.422 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.866 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 11.6 Cg_exo -4.69 122.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 125.195 3.93 . . . . 0.0 116.169 -137.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 m 174.86 -53.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.175 -2.739 . . . . 0.0 106.143 174.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.39 27.16 6.42 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.904 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' HA ' HG13 ' A' ' 40' ' ' ILE . 67.8 p-90 -56.58 -30.06 62.76 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.36 -28.23 67.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.468 0.651 . . . . 0.0 109.982 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -89.51 -3.45 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.724 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.61 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.5 mt -54.0 -44.24 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' B' ' 45' ' ' GLU . 51.7 tpp -61.24 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -73.7 -50.45 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.17 -48.52 85.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.969 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.42 -50.97 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.891 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.79 -49.45 77.61 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.841 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.501 HG21 ' CE2' ' A' ' 51' ' ' TYR . 11.7 m -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.132 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 43.6 t80 -68.49 -42.11 79.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.693 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.31 -39.96 80.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.952 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.15 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 47' ' ' THR . 24.8 m-85 -62.94 -36.61 84.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.493 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -63.56 -48.77 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.231 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -53.27 -48.63 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.15 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 8.2 mp -58.98 -48.92 79.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 111.104 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' CG ' ' HZ1' ' A' ' 59' ' ' LYS . 23.1 t70 -65.17 -44.75 87.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.067 -176.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.69 -40.48 95.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.309 0.576 . . . . 0.0 110.592 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 21.4 t80 -65.14 -40.23 94.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.988 177.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -65.44 -43.27 90.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.97 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP . 13.8 mptt -58.33 -49.35 77.49 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.099 178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 p -68.46 -43.53 76.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 57' ' ' PHE . 15.2 t -69.92 -34.88 74.08 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.034 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.23 90.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.13 0.491 . . . . 0.0 110.927 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -70.15 -33.99 72.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.24 -46.78 31.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.42 -15.0 63.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -87.05 -22.81 25.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.7 t60 62.73 14.32 7.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.47 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -99.3 103.63 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -158.47 108.63 2.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.699 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -120.49 128.66 53.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.314 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.157 0.503 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -154.8 174.09 15.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.75 ' HB2' ' HB3' ' B' ' 64' ' ' LEU . 8.1 tp10 -125.28 145.73 49.87 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.942 0.401 . . . . 0.0 110.203 -177.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' B' ' 8' ' ' LEU . . . -129.72 114.95 1.79 Allowed Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.78 71.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.35 -51.79 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.638 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.31 -38.68 84.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 4' ' ' GLY . 2.0 tt -54.86 -51.86 64.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.925 177.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -66.65 -41.59 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.733 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.24 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.324 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.04 -45.03 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.59 -41.85 91.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.134 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -57.73 -51.13 70.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.754 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.575 ' HA ' ' HE3' ' B' ' 14' ' ' LYS . 0.9 OUTLIER -58.61 -46.64 86.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.449 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.38 -39.65 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -64.88 -44.55 89.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.84 -57.47 11.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.229 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -35.71 70.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.441 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -66.3 -33.58 76.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.28 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.27 -26.02 67.14 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.64 -45.51 81.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -71.14 -42.3 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.416 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -44.14 84.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.533 ' HA ' HG12 ' B' ' 43' ' ' VAL . 64.8 tp -77.62 -47.35 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -61.67 -39.17 90.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.22 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.7 -39.79 95.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.176 0.512 . . . . 0.0 110.348 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.69 -36.78 70.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.819 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -64.35 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.473 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.35 -34.67 55.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.852 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -104.35 26.49 8.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.18 0.514 . . . . 0.0 110.59 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.959 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.3 mt -43.43 174.34 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.066 0.947 . . . . 0.0 113.45 175.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.959 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.83 19.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 1 C-N-CA 126.657 4.905 . . . . 0.0 118.597 -144.947 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.528 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -128.05 133.67 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 160.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.95 9.58 71.29 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.191 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' B' ' 40' ' ' ILE . 70.7 p-90 -58.09 -21.02 44.29 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 61.2 t30 -61.63 -25.49 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.324 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.408 ' O ' HG23 ' B' ' 43' ' ' VAL . 58.6 mtp180 -92.77 0.07 57.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.05 -175.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.511 HG13 ' HA ' ' B' ' 37' ' ' TRP . 51.1 mt -54.83 -49.27 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.497 0.189 . . . . 0.0 111.396 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 38.0 ttm -68.29 -35.27 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.918 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' B' ' 46' ' ' LYS . 26.8 tt0 -62.14 -53.15 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.297 0.57 . . . . 0.0 110.414 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' B' ' 26' ' ' LEU . 57.7 t -63.89 -38.29 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.827 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.38 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.521 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 21.3 mt-10 -59.45 -47.69 84.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 42' ' ' GLU . 65.9 mttt -60.17 -49.79 76.25 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 m -60.57 -49.51 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.21 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.28 -49.24 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.266 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.99 -46.39 90.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.39 -51.98 66.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.72 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -69.44 -37.01 77.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.404 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -64.82 -50.82 65.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.509 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -59.19 -39.91 84.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.625 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 40.7 tp -58.62 -49.93 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.037 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.38 -39.93 92.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -60.85 -42.66 98.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.064 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.1 mtp180 -64.34 -39.24 93.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.37 -38.53 81.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 33.8 t -63.28 -54.43 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.496 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.452 HG21 ' HA ' ' B' ' 58' ' ' ARG . 11.0 t -65.63 -35.61 81.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.562 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.54 -29.47 69.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.124 0.487 . . . . 0.0 110.874 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 18.7 m -73.26 -36.92 66.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.75 ' HB3' ' HB2' ' B' ' 3' ' ' GLU . 3.8 mm? -85.67 -31.25 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.431 -177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.37 -6.23 44.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.293 0.568 . . . . 0.0 110.86 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -86.54 -48.63 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.421 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -132.25 121.36 23.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 110.359 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -104.26 111.21 23.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.011 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 55.68 -97.21 0.07 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.529 0.518 . . . . 0.0 111.238 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 11.4 p80 173.8 -17.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.116 0.966 . . . . 0.0 108.525 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.685 175.243 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.736 0.303 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -84.62 -6.81 59.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.824 0.821 . . . . 0.0 111.017 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.7 108.26 16.87 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.783 173.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.94 122.0 7.4 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.433 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.64 -19.27 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.764 0.316 . . . . 0.0 110.354 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.45 -46.47 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.547 0.689 . . . . 0.0 110.236 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.54 -37.84 83.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.922 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.22 -37.21 80.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.606 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.38 -51.9 60.96 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.335 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.29 84.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.752 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -62.74 -53.52 53.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.61 177.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.23 -34.6 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.712 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.29 -47.82 84.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.954 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -64.42 -48.44 75.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 88.2 mt -60.41 -36.14 77.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.679 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.99 -43.26 99.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.928 0.395 . . . . 0.0 110.31 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.89 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.337 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -58.25 -51.71 68.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.572 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.46 74.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.533 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -75.02 -46.91 31.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.16 91.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.21 -38.37 90.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.006 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HG3' HD12 ' B' ' 33' ' ' LEU . 84.3 tttt -59.11 -45.44 90.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.999 0.428 . . . . 0.0 110.462 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.5 mtp -66.3 -48.05 71.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.853 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.9 -43.89 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD21 HD11 ' B' ' 33' ' ' LEU . 67.3 tp -61.0 -48.43 81.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.756 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 5.7 t60 -62.32 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.38 -44.07 92.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.83 -37.09 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.671 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.99 -26.93 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.036 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 38.7 mm-40 -70.63 -35.55 72.98 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 176.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -112.5 65.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.774 0.797 . . . . 0.0 110.35 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 1.069 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.7 mt -70.9 176.24 2.14 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.593 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 1.069 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 18.14 19.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.553 1 C-N-CA 127.365 5.377 . . . . 0.0 119.309 -149.548 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -111.18 133.65 53.38 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 155.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.55 42.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.053 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.564 ' HA ' HG13 ' A' ' 40' ' ' ILE . 2.1 p90 -56.44 -22.59 33.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 111.3 178.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -71.55 -16.83 62.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.06 0.457 . . . . 0.0 111.035 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.5 ttt-85 -98.86 1.07 45.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.309 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.564 HG13 ' HA ' ' A' ' 37' ' ' TRP . 15.6 mt -51.75 -43.25 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.817 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.23 -44.1 96.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.546 0.212 . . . . 0.0 110.914 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -59.06 -51.37 70.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.7 t -60.3 -46.1 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.756 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.08 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 35.8 mt-10 -59.16 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.175 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.18 -44.35 83.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 HG21 HD22 ' A' ' 26' ' ' LEU . 40.9 m -63.92 -46.81 83.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.991 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.041 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 44.2 mt-10 -58.8 -41.8 87.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.236 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -55.87 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.989 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -64.96 -28.88 69.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.611 0.243 . . . . 0.0 111.185 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -68.41 -48.6 64.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 110.354 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' OE1' HD23 ' A' ' 15' ' ' LEU . 29.0 tt0 -61.33 -36.17 79.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 5.7 mp -58.81 -43.74 90.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.454 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.614 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 32.2 t70 -72.28 -38.23 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.11 -40.56 77.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.316 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.503 ' O ' HG23 ' A' ' 61' ' ' THR . 92.3 t80 -61.28 -44.0 97.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.112 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.766 HH21 HG21 ' A' ' 61' ' ' THR . 0.5 OUTLIER -60.48 -44.1 96.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.313 179.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.614 ' HE2' ' OD2' ' A' ' 55' ' ' ASP . 67.9 mmtt -57.6 -46.65 83.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.383 0.611 . . . . 0.0 109.797 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -65.59 -54.75 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.686 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.766 HG21 HH21 ' A' ' 58' ' ' ARG . 7.5 t -62.14 -39.92 94.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.77 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.35 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.966 0.412 . . . . 0.0 111.046 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -70.35 -29.85 66.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.02 -35.64 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.635 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.92 -10.51 59.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.233 0.539 . . . . 0.0 110.113 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 76.0 t60 69.81 30.51 3.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.515 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -107.94 101.61 10.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.865 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -77.64 86.86 3.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.233 0.539 . . . . 0.0 109.95 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -131.68 120.77 23.24 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.371 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -74.79 153.67 38.67 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.416 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 117.863 -1.065 . . . . 0.0 108.542 172.831 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -121.31 128.88 52.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -130.45 118.56 21.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.292 0.568 . . . . 0.0 110.77 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.2 149.71 20.85 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -17.62 63.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.581 0.229 . . . . 0.0 110.994 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.66 -53.57 55.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.68 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -33.77 74.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.748 178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.46 -45.17 84.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.347 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.23 -52.53 58.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.419 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.56 78.02 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.435 0.459 . . . . 0.0 111.111 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -67.17 -52.56 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.98 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.85 -47.49 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.48 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -61.81 -44.45 96.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' B' ' 54' ' ' LEU . 82.1 mt -68.05 -42.76 80.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.492 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.85 -51.52 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.278 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.42 92.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.39 -50.79 71.43 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.38 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 111.584 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -68.89 -44.95 72.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.52 83.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.223 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -35.14 77.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.317 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.574 ' HZ3' ' HB2' ' B' ' 23' ' ' LYS . 4.0 ttmp? -53.74 -53.33 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.932 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.27 -39.64 71.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.819 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.75 -35.64 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.68 -41.49 83.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.282 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.462 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 36.5 t-80 -62.27 -39.2 92.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.35 -42.4 98.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.639 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.26 -41.58 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.051 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -26.13 66.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 111.114 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 27' ' ' HIS . 40.5 mt-10 -78.5 -22.3 47.62 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.309 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -98.6 24.28 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.337 0.589 . . . . 0.0 111.14 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.844 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 15.6 mt -47.71 169.48 0.12 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.329 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.844 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 1.2 Cg_exo 5.8 127.25 0.0 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.824 1 C-N-CA 125.39 4.06 . . . . 0.0 115.915 -136.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.643 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 30.3 m 96.4 -14.44 0.08 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 111.88 -2.418 . . . . 0.0 109.51 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.72 47.14 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 170.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.643 ' HD1' ' H ' ' B' ' 35' ' ' THR . 37.3 p-90 -108.27 -27.06 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.69 -22.22 60.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.263 0.554 . . . . 0.0 110.553 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.512 ' HG3' HG23 ' B' ' 43' ' ' VAL . 23.9 tpp180 -82.07 -11.79 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.47 -52.53 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.171 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 53.5 ttm -65.36 -33.03 74.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.222 0.534 . . . . 0.0 110.894 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.05 -57.81 6.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.002 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' B' ' 39' ' ' ARG . 58.6 t -63.28 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.931 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.84 94.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.226 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.48 -50.35 74.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.287 0.565 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' B' ' 46' ' ' LYS . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.901 -176.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 63.4 m -67.37 -43.33 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.514 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -63.88 -46.16 86.14 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.256 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -53.8 -47.58 70.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.38 46.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -37.26 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -67.66 -46.82 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.99 -33.79 74.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.928 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.575 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.8 mp -60.54 -50.92 71.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.395 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.94 -43.7 98.3 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.94 -47.93 81.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.411 ' O ' HG23 ' B' ' 61' ' ' THR . 81.9 t80 -60.29 -42.09 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.557 ' HE ' ' HA ' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -59.89 -42.46 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.436 -179.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.92 -36.84 48.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 38.9 m -64.63 -43.48 93.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.738 0.304 . . . . 0.0 110.808 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.411 HG23 ' O ' ' B' ' 57' ' ' PHE . 13.7 t -73.55 -23.25 59.96 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.36 73.41 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.309 0.576 . . . . 0.0 109.894 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.2 t -63.83 -35.78 81.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.367 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.81 -36.63 56.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.13 -15.1 62.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.105 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -71.19 -21.41 62.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.772 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.29 157.5 37.99 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -68.41 93.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.835 0.826 . . . . 0.0 108.986 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -54.21 118.6 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.703 -1.135 . . . . 0.0 112.446 -171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 71.25 -69.51 0.18 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.593 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.057 -177.097 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -87.22 130.45 34.56 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 60.71 108.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.052 0.929 . . . . 0.0 110.064 -169.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -119.16 145.97 18.21 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.927 -172.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.28 -24.37 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.699 0.4 . . . . 0.0 112.037 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.76 -50.38 43.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 0.0 110.415 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 19.0 tt0 -63.09 -39.5 94.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.2 mp -58.16 -35.25 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.602 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.13 -47.76 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.303 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.99 85.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.163 0.506 . . . . 0.0 110.623 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 4.7 tmtp? -65.26 -46.78 79.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.06 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.69 -39.89 94.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.126 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 1.7 tpmt? -54.06 -44.48 71.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.094 0.473 . . . . 0.0 110.83 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -62.6 -54.16 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.961 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HD3' ' A' ' 11' ' ' LYS . 4.6 mm? -67.85 -32.0 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.802 -176.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.12 -46.97 86.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.217 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.72 89.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.327 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.96 -48.99 79.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.166 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.006 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.8 m -65.24 -34.28 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.023 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -53.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.701 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HA ' HD11 ' A' ' 22' ' ' LEU . 4.0 mm? -64.07 -33.13 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 -179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.8 -43.1 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.649 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.853 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 10.2 mmt -75.65 -46.42 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.659 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -58.21 -47.46 83.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.883 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 47' ' ' THR . 56.1 tp -66.73 -49.21 66.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.913 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.9 -37.69 87.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.949 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.06 -32.52 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.872 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.48 -37.75 63.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.227 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.76 61.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.294 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.65 -45.69 71.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.622 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -112.36 83.8 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.552 0.692 . . . . 0.0 110.099 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.829 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -85.05 173.01 7.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.232 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 9.0 Cg_exo 0.46 121.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 125.188 3.926 . . . . 0.0 115.737 -135.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.401 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 5.5 m 170.39 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 111.322 -2.672 . . . . 0.0 106.303 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.48 32.81 2.76 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.659 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.401 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.3 p-90 -62.09 -24.73 67.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.458 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 12.1 t30 -67.39 -21.47 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.264 0.554 . . . . 0.0 110.511 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 39' ' ' ARG . 49.2 ttt-85 -96.94 2.77 52.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.694 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' B' ' 26' ' ' LEU . 11.6 tt -61.68 -39.95 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.1 mtp -71.63 -38.97 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.99 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.15 -52.95 63.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.78 -45.31 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.696 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' B' ' 41' ' ' MET . . . -61.0 -46.71 89.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.5 -50.99 71.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.49 -44.83 93.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.334 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.488 HG22 HD23 ' A' ' 26' ' ' LEU . 62.9 m -61.44 -45.45 94.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.239 . . . . 0.0 110.752 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' B' ' 38' ' ' ASN . 28.1 t80 -60.84 -51.97 67.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.323 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.739 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 26.6 mm-40 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.082 -178.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.66 48.14 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.537 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.77 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.005 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.739 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.05 -38.78 86.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.568 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 53.2 tt0 -71.27 -34.37 70.64 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.565 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.1 -49.88 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.368 . . . . 0.0 110.376 173.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.75 -42.17 95.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 20.1 mm-40 -55.15 -53.66 53.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.68 -43.34 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.462 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.2 mmp_? -67.34 -43.23 82.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.518 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.4 -41.82 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.816 -174.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.428 ' OG1' HD21 ' A' ' 8' ' ' LEU . 1.3 t -85.98 -19.08 30.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -176.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.99 96.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.628 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 m -66.76 -27.65 67.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.205 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.34 -43.55 50.08 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.815 ' HB3' ' HD2' ' A' ' 67' ' ' HIS . 41.0 mt-10 -69.39 -15.33 63.28 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.894 176.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 t60 62.19 33.74 16.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.451 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.815 ' HD2' ' HB3' ' A' ' 65' ' ' GLU . 13.8 m-70 -97.85 151.51 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.483 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -98.62 156.5 16.78 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -99.03 114.45 27.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.168 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -124.19 108.64 12.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.871 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.77 -178.441 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.731 0.3 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -110.12 157.67 19.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -154.5 112.35 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.394 0.616 . . . . 0.0 110.879 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.05 169.58 40.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.272 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.28 -27.2 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.2 -53.78 13.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.577 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.99 -39.55 78.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.675 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.14 -48.54 81.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.818 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.75 -42.32 86.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.0 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.679 ' HA ' ' HE3' ' B' ' 11' ' ' LYS . 0.4 OUTLIER -66.05 -48.61 70.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 177.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.58 -43.05 84.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.827 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.89 -49.0 76.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.314 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.31 -45.52 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.855 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.22 -37.76 69.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.844 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -59.17 -52.07 67.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.103 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.73 83.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.174 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.9 -49.78 55.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.21 87.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.826 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -67.14 -35.78 80.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.291 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.45 78.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.465 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 22' ' ' LEU . 3.7 mm? -73.47 -27.8 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -49.78 76.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.801 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 13.6 tpt -75.79 -27.65 58.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.036 0.446 . . . . 0.0 110.589 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.09 -47.69 83.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.556 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.451 ' CD2' HD12 ' A' ' 40' ' ' ILE . 50.7 tp -62.82 -40.43 97.39 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.568 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.19 -40.38 85.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.34 -43.08 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.77 -35.12 76.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.61 62.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.772 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.55 -29.79 63.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.479 0.656 . . . . 0.0 109.914 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.99 27.28 6.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.444 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.777 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 8.9 mt -41.47 167.98 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.777 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 14.7 Cg_exo -1.17 122.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.576 0 C-N-CA 124.876 3.717 . . . . 0.0 115.255 -132.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.602 HG23 ' O ' ' B' ' 34' ' ' PRO . 3.1 p -179.78 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 111.756 -2.475 . . . . 0.0 106.825 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.85 39.08 2.42 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.634 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.728 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.8 p90 -54.93 -22.71 15.88 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.092 0.557 . . . . 0.0 111.963 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.648 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 8.6 t30 -58.27 -30.5 66.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.636 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.431 ' O ' HG22 ' B' ' 43' ' ' VAL . 74.2 mtp180 -97.96 4.43 49.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.661 -175.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.728 HG13 ' HA ' ' B' ' 37' ' ' TRP . 27.7 mt -56.23 -50.2 72.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.213 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.515 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 20.2 ptm -69.27 -25.49 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 31.6 tt0 -63.55 -54.11 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.194 0.521 . . . . 0.0 109.749 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 39' ' ' ARG . 15.2 t -60.63 -44.72 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.843 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.62 93.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.43 -54.15 50.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.345 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.497 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.6 mtmt -57.99 -42.05 84.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.3 m -65.05 -53.45 45.61 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 75.4 t80 -59.49 -44.45 93.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.652 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.677 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.9 tm-20 -67.18 -41.3 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.71 98.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -74.68 -29.85 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.614 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -72.48 -39.71 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.005 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -70.81 -31.02 67.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.041 0.448 . . . . 0.0 109.868 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 31.2 tp -57.94 -42.61 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.083 175.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.85 -39.55 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 27.4 mm-40 -54.91 -47.75 73.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 176.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.4 mtp180 -65.56 -41.69 92.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.178 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -70.68 -41.24 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.108 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -60.73 -50.64 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.289 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.1 t -65.22 -35.5 81.25 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.394 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.12 90.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.647 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -63.8 -30.21 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.83 -49.52 9.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.685 0.278 . . . . 0.0 111.454 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.5 -15.56 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -173.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -93.55 8.78 39.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.397 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -135.43 140.67 45.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.891 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 66.42 -177.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.674 0.75 . . . . 0.0 111.979 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -154.26 116.04 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.451 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -70.35 142.19 52.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.111 0.481 . . . . 0.0 110.925 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -150.06 -168.01 2.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -135.04 144.98 47.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' HA3' ' OE2' ' A' ' 7' ' ' GLU . . . -57.13 133.71 52.58 Favored Glycine 0 C--O 1.225 -0.425 0 C-N-CA 121.492 -0.385 . . . . 0.0 113.277 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.89 0.376 . . . . 0.0 111.462 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.9 -42.9 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' OE2' ' HA3' ' A' ' 4' ' ' GLY . 1.4 mp0 -61.29 -37.5 83.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.425 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.13 -39.21 91.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.426 0.29 . . . . 0.0 110.959 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -62.18 -50.29 72.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.35 . . . . 0.0 110.427 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.03 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' HE1' ' A' ' 57' ' ' PHE . 72.0 tttt -70.99 -48.33 53.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.32 -39.59 94.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.263 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.73 -46.19 91.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.274 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 1.2 tpmt? -57.88 -49.03 78.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.699 178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.0 -43.77 91.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.031 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.57 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.78 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -64.41 -44.76 90.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.83 99.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.96 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -66.56 -42.91 86.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.86 91.61 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.75 -39.39 84.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.827 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -56.74 -50.09 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.65 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.1 mtp -66.92 -39.14 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.74 -45.69 88.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.62 -43.32 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 19.3 t-160 -60.78 -37.83 83.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.33 -36.5 61.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.594 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 43' ' ' VAL . 41.5 tp -64.18 -29.8 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.88 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.229 0.537 . . . . 0.0 110.83 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -84.55 -21.95 30.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.31 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.98 32.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.891 0.853 . . . . 0.0 110.102 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.957 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.8 mt -57.44 169.0 0.84 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.215 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.957 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 11.55 20.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.301 1 C-N-CA 127.287 5.325 . . . . 0.0 119.115 -151.083 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.536 ' H ' ' C ' ' A' ' 33' ' ' LEU . 21.5 m -107.36 -59.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.055 0.455 . . . . 0.0 109.954 172.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.42 28.7 11.15 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.41 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.65 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.0 p-90 -63.51 -22.45 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 111.422 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -67.44 -20.95 65.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.402 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -104.34 5.27 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.99 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 37' ' ' TRP . 23.5 mt -56.79 -46.04 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 tpp -57.28 -46.01 83.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.257 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.1 tt0 -62.15 -55.94 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG23 HD23 ' A' ' 29' ' ' LEU . 44.7 t -58.74 -45.17 91.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.916 -177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.438 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 33.4 tt0 -58.59 -51.26 70.66 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.272 0.358 . . . . 0.0 110.491 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 53.2 mtmt -59.61 -47.05 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.431 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 51' ' ' TYR . 27.1 m -61.87 -43.32 99.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -65.2 -44.56 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.636 0.255 . . . . 0.0 110.539 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.99 -36.09 78.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -45.07 87.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.993 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 47' ' ' THR . 21.3 m-85 -61.94 -42.24 98.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.874 0.369 . . . . 0.0 110.033 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -56.78 -55.46 33.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.643 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -62.78 -30.63 71.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.567 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.91 -44.2 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 25.4 t70 -69.41 -35.03 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.692 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -72.92 -22.75 60.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.867 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' HE1' ' HD3' ' A' ' 11' ' ' LYS . 70.3 t80 -71.12 -40.48 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 170.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 3.9 mmp_? -56.09 -46.65 78.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.394 171.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.48 -38.08 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.32 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -66.63 -41.96 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -87.16 -35.81 18.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 66' ' ' HIS . . . -67.33 -24.78 65.77 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 122.164 -0.335 . . . . 0.0 111.704 -175.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -77.75 -21.58 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.033 0.444 . . . . 0.0 110.436 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.29 -39.79 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.104 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -77.51 -16.69 58.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 111.649 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 44.2 m-70 -132.26 -88.46 0.44 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.3 t60 177.23 -64.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.65 146.51 25.22 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -98.59 142.69 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.987 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -99.38 -69.64 0.76 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 C--O 1.246 0.911 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.544 173.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.018 0.437 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -134.76 131.96 38.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -154.31 133.52 12.55 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.47 144.45 40.66 Favored Glycine 0 N--CA 1.44 -1.094 0 C-N-CA 121.012 -0.614 . . . . 0.0 112.545 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.89 -18.69 65.4 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.768 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.52 -50.55 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.314 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.2 -39.03 91.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.53 -48.44 74.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.76 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.79 -51.64 67.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.217 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.68 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.56 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 36.5 ttmt -72.99 -45.52 57.46 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.706 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -54.49 -45.2 73.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 110.119 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.7 -48.55 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.528 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.65 -47.4 84.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.153 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 82.8 mt -64.57 -43.17 94.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -60.49 -44.86 95.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.005 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.82 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.757 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.5 -46.99 85.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.78 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.0 m -74.56 -36.59 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.6 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.88 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.944 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.92 -39.49 94.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.707 ' HG3' HD13 ' A' ' 33' ' ' LEU . 85.1 tttt -57.64 -42.05 82.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.738 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 90.1 mtp -69.8 -52.95 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.058 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.6 -33.45 75.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.472 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.61 -36.55 78.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -65.82 -45.38 82.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -61.13 -43.56 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' B' ' 40' ' ' ILE . 52.5 tp -63.42 -44.18 95.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.453 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 27' ' ' HIS . . . -68.72 -30.75 69.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.88 -176.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.81 -34.23 21.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.374 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.77 26.39 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.143 0.497 . . . . 0.0 110.602 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.954 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -42.05 174.45 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.675 1.19 . . . . 0.0 113.941 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.954 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.62 20.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.299 1 C-N-CA 126.302 4.668 . . . . 0.0 118.445 -145.595 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.548 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -125.33 134.69 52.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 159.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 15.07 66.35 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.594 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.41 ' HA ' HG13 ' B' ' 40' ' ' ILE . 29.2 p90 -57.0 -21.12 28.17 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -63.48 -22.11 66.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.01 0.433 . . . . 0.0 110.961 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -92.86 -2.62 55.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.005 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.509 ' HA ' HD22 ' B' ' 29' ' ' LEU . 66.3 mt -57.05 -48.53 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 93.1 mmm -68.38 -37.47 80.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.079 -178.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.53 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 13.0 tt0 -65.31 -54.34 30.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.88 -48.21 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.602 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.25 -45.14 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.839 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 49' ' ' GLU . 16.3 tm-20 -59.23 -54.82 42.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.53 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.1 mtmt -65.5 -37.1 85.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -64.35 -46.07 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.327 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.607 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 84.4 t80 -61.15 -48.8 79.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.316 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 45' ' ' GLU . 15.3 mm-40 -62.16 -42.59 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.955 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.13 65.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.465 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.65 -28.68 67.92 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.541 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' B' ' 48' ' ' TYR . 32.9 mtm105 -61.49 -58.15 9.31 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.951 0.881 . . . . 0.0 109.737 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.71 -37.17 83.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.211 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.03 -45.75 91.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 0.0 110.843 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.58 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 24.3 t70 -66.38 -42.96 87.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.67 -34.69 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.3 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.88 -34.76 73.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -65.95 -37.06 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 74.7 mmtt -59.41 -46.53 88.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.36 0.6 . . . . 0.0 109.869 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -61.86 -45.2 94.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.241 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 48.0 m -59.4 -42.29 91.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.1 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.62 -32.63 73.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 25.5 m -72.22 -41.21 67.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.53 -40.73 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.658 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.02 -7.13 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.303 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -96.84 -15.01 21.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.61 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 141.27 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -78.55 141.22 38.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -83.34 84.63 7.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.14 -171.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -82.89 -46.19 13.3 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.172 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -129.87 158.28 39.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.832 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -106.6 132.07 53.02 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.282 0.563 . . . . 0.0 110.54 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.08 137.35 15.41 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.037 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.88 68.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.393 0.616 . . . . 0.0 110.957 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.02 -48.12 54.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.309 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.45 -39.88 92.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.861 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 3.0 tt -57.26 -51.74 68.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.42 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -58.57 -51.48 69.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.965 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.32 88.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.276 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 ttmt -74.33 -49.34 23.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.736 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.44 -39.07 89.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -60.26 -42.76 96.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 110.078 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.4 -44.73 70.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.764 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 74.9 mt -66.31 -41.92 88.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.93 -43.12 99.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.48 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.33 97.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.29 -47.72 83.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.32 90.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -62.63 -39.32 93.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.64 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.64 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.09 -33.84 74.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.434 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -57.77 -47.01 83.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.624 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtt -75.18 -35.34 61.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.836 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.61 -51.45 69.77 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.175 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HA ' HG12 ' A' ' 43' ' ' VAL . 61.4 tp -65.68 -44.54 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -61.74 -34.09 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.7 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.5 -49.42 75.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.097 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.21 -36.7 58.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.081 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.97 62.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.314 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.34 -37.81 74.74 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.0 90.36 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.462 0.649 . . . . 0.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.694 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 4.9 mt -67.28 -179.83 0.48 Allowed Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.694 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.33 -86.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.699 0 C-N-CA 124.296 3.331 . . . . 0.0 114.281 -130.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.9 m 35.88 -87.69 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -166.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.85 42.66 1.91 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.694 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 50.1 p-90 -51.17 -27.5 8.84 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.002 0.921 . . . . 0.0 112.544 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.5 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 11.9 t30 -64.82 -20.94 66.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.862 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 ttt180 -101.11 -0.41 36.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.438 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.692 HG13 ' HA ' ' A' ' 37' ' ' TRP . 46.4 mt -53.75 -44.04 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.694 0.283 . . . . 0.0 111.405 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.4 tpp -56.79 -47.38 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.426 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.511 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 32.2 tt0 -62.51 -54.31 41.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.189 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 26' ' ' LEU . 25.5 t -55.42 -49.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.441 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.33 92.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.453 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -48.33 82.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 52.9 mtmt -60.08 -43.38 95.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -62.16 -47.88 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.9 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.5 -53.02 62.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.676 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.66 96.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.49 -39.18 74.34 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.524 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 45.1 ttt180 -66.62 -49.47 66.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.926 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -55.35 -38.87 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.228 0.33 . . . . 0.0 111.218 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -47.55 84.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.74 -42.31 97.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.755 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 12.1 mm-40 -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.598 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.4 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 67.7 t80 -62.49 -40.31 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.223 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.551 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.4 mmp_? -61.21 -46.88 88.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.244 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -64.24 -52.61 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 t -65.69 -29.19 69.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.312 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.87 93.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.339 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -68.49 -36.58 79.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.56 -31.08 67.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.211 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -77.55 -1.42 30.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.846 0.831 . . . . 0.0 109.298 173.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 67.3 34.4 4.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.983 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 78.4 m-70 -86.82 59.86 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.548 0.689 . . . . 0.0 110.775 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -81.47 76.12 8.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.827 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -153.69 136.83 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.21 -173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -134.88 158.45 44.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.118 179.326 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m 64.08 146.78 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.458 0.647 . . . . 0.0 111.389 -174.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -111.91 116.0 29.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.438 ' O ' HD11 ' B' ' 8' ' ' LEU . . . -119.47 132.56 9.59 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.729 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.79 -18.84 63.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.52 -55.55 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.93 -33.41 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.544 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.657 ' HG ' ' HZ ' ' B' ' 57' ' ' PHE . 6.6 mp -62.15 -37.93 87.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.494 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.4 -49.75 74.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.202 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -67.67 -51.26 51.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.96 -38.01 89.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.604 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.24 -42.83 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.92 0.391 . . . . 0.0 110.35 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -65.39 -42.16 92.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.362 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.0 -40.83 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 110.483 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.9 -48.54 81.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.671 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.91 98.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.54 -51.84 68.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.349 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' B' ' 51' ' ' TYR . . . -60.5 -31.08 70.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.465 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -74.97 -41.24 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.757 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.42 93.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.78 -34.13 77.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.928 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 19.7 ttpp -60.86 -42.12 97.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.097 0.475 . . . . 0.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -71.56 -41.52 68.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.42 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.49 -46.72 72.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.333 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -70.77 -34.24 71.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.863 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.35 -37.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.94 -28.44 65.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.511 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.492 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.69 -31.25 72.36 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -81.9 -33.11 30.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.642 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -89.16 20.88 3.45 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.888 0.851 . . . . 0.0 110.241 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.995 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 9.7 mt -57.06 169.05 0.73 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.036 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.995 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 13.17 20.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.33 1 C-N-CA 127.339 5.359 . . . . 0.0 118.881 -152.282 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.551 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.8 m -103.16 -54.75 2.55 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 166.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.18 35.39 5.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.776 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.586 ' HA ' HG13 ' B' ' 40' ' ' ILE . 6.9 p-90 -60.76 -18.87 57.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.9 -17.56 64.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.379 0.609 . . . . 0.0 110.792 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.584 ' HG3' HG21 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -97.7 -12.74 22.01 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.493 -174.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.586 HG13 ' HA ' ' B' ' 37' ' ' TRP . 83.0 mt -52.96 -53.92 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.3 mtp -68.65 -39.37 80.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.77 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.94 -44.79 79.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.894 0.378 . . . . 0.0 110.598 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.584 HG21 ' HG3' ' B' ' 39' ' ' ARG . 85.9 t -61.89 -52.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.01 78.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.379 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 38.6 tt0 -60.79 -57.04 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -60.2 -35.75 76.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.102 -178.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 61.7 m -61.77 -47.17 86.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 28.4 t80 -65.38 -44.67 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 55.2 mt-10 -57.75 -47.74 81.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.21 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.562 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' B' ' 19' ' ' ALA . 14.3 m-85 -65.51 -38.59 90.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -61.72 -55.45 30.22 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.586 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.32 -36.51 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.085 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.65 -44.85 95.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.697 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' B' ' 58' ' ' ARG . 33.6 t70 -74.25 -30.85 62.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.51 -51.53 68.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.801 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.657 ' HZ ' ' HG ' ' B' ' 8' ' ' LEU . 71.0 t80 -62.39 -38.17 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.283 0.563 . . . . 0.0 109.637 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' B' ' 55' ' ' ASP . 58.2 ttt180 -56.07 -49.89 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.766 176.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -63.32 -42.16 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -61.97 -47.12 86.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t -80.41 -21.99 41.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.0 82.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.986 0.422 . . . . 0.0 110.721 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.09 -31.75 70.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.705 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.86 -39.7 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.997 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.73 ' HG2' ' HB3' ' B' ' 69' ' ' HIS . 4.3 tm-20 -65.74 -17.84 64.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.713 0.768 . . . . 0.0 110.555 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -67.31 -19.9 65.54 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.783 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -81.4 -68.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -151.62 144.14 24.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.089 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . 0.73 ' HB3' ' HG2' ' B' ' 65' ' ' GLU . 1.6 p80 -139.49 124.24 18.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 -177.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -105.7 121.87 44.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.495 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.646 176.09 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -124.28 159.71 29.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.199 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.79 121.09 35.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.201 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -86.89 122.24 6.07 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -55.6 -29.01 58.37 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.905 0.482 . . . . 0.0 111.973 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -50.96 68.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.19 -42.76 96.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.633 0.73 . . . . 0.0 109.48 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 57' ' ' PHE . 6.8 mp -60.03 -47.85 84.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.802 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -66.83 -43.31 84.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.033 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.681 ' O ' ' HG2' ' A' ' 14' ' ' LYS . . . -67.44 -44.78 77.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.358 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' HG2' HD22 ' A' ' 15' ' ' LEU . 48.5 tttp -70.87 -38.45 73.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.71 -45.59 89.22 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.14 -44.98 92.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.996 0.427 . . . . 0.0 110.488 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.681 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.2 mmmm -57.69 -51.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.549 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.9 mm? -63.37 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.554 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.5 -46.39 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.463 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.29 96.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.974 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.85 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.378 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.02 91.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.079 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -64.88 -38.89 92.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.789 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.69 -37.24 70.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HG3' HD12 ' B' ' 33' ' ' LEU . 60.1 tttm -55.38 -48.65 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.3 ptm -75.2 -30.23 60.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -70.12 -44.82 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.938 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 47' ' ' THR . 54.2 tp -57.67 -43.09 84.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.272 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 21.8 t-80 -63.9 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.324 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.14 -35.15 66.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.73 -38.75 87.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.311 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' B' ' 27' ' ' HIS . . . -67.26 -28.53 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.811 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 44.5 mt-10 -79.19 -42.04 26.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -89.02 29.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 110.594 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 1.002 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.9 mt -53.44 177.13 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.705 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 1.002 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 22.79 20.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.456 4.771 . . . . 0.0 118.475 -146.249 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 33' ' ' LEU . 2.2 m -132.52 147.77 52.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.98 14.81 64.0 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.899 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -54.34 -29.2 47.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.061 0.431 . . . . 0.0 112.03 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.27 -28.18 67.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.055 0.455 . . . . 0.0 110.749 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 43' ' ' VAL . 29.9 ttt180 -85.6 -10.18 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.17 -41.22 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.662 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.567 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 2.2 mmt -64.13 -50.99 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.379 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.4 tt0 -60.3 -47.24 86.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.193 0.52 . . . . 0.0 110.69 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 39' ' ' ARG . 87.7 t -60.51 -53.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.481 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.79 78.07 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.6 -56.68 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.578 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 50.3 mtmt -62.38 -37.22 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.52 HG21 HD22 ' A' ' 26' ' ' LEU . 85.4 m -59.55 -47.55 85.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.592 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' HA ' ' HE1' ' B' ' 37' ' ' TRP . 78.8 t80 -72.94 -48.56 35.82 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.017 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -62.73 -39.15 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -174.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.6 68.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.711 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.11 -30.35 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.24 0.543 . . . . 0.0 110.033 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.07 -46.4 61.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.61 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.39 -30.67 71.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 4.9 mp -53.5 -46.4 70.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.55 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.4 -34.14 63.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.925 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.874 0.369 . . . . 0.0 110.193 174.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.44 ' CZ ' ' HG ' ' A' ' 8' ' ' LEU . 87.7 t80 -59.24 -45.98 89.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.76 174.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 60.7 mtp85 -63.31 -35.07 79.14 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.683 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -58.7 -46.42 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -67.43 -59.95 2.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.856 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.9 m -59.44 -45.02 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.898 -173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.56 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.808 0.337 . . . . 0.0 111.276 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -77.11 -29.33 54.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.989 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.0 tm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.73 -9.27 58.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.964 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 71.51 31.54 2.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.468 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 71.58 119.76 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.351 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -56.2 -64.29 0.91 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.374 -169.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -160.96 142.24 11.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.643 0.259 . . . . 0.0 110.432 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -133.56 -41.75 0.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.249 1.071 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.16 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.195 0.521 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.2 157.07 12.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.617 -176.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.64 130.23 24.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.924 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' B' ' 8' ' ' LEU . . . -154.67 158.88 28.58 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.927 -176.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -59.45 -21.04 59.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.8 -55.71 17.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.468 0.652 . . . . 0.0 110.501 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.58 -33.67 74.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.586 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.468 ' HB2' ' HA ' ' B' ' 5' ' ' ALA . 76.1 mt -65.34 -40.4 93.61 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.454 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 5.7 mmtp -68.74 -35.07 76.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.36 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.511 . . . . 0.0 109.828 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -60.99 -50.01 75.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.94 -42.18 84.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.42 -43.83 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 110.273 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.23 -42.79 91.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.384 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.91 -42.5 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.636 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -60.8 -46.06 91.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.5 96.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.4 -45.48 94.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.126 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.89 98.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.717 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -61.44 -41.33 97.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.489 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.33 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.771 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.53 -29.75 70.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.14 -52.5 64.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.607 0.242 . . . . 0.0 110.528 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.1 ptm -72.95 -29.23 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.68 -52.89 54.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.139 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.39 -39.5 89.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 32.1 t-80 -53.85 -54.1 43.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -26.21 60.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.503 -176.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.466 HD22 HG22 ' B' ' 43' ' ' VAL . 50.1 tp -63.24 -47.44 82.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.187 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.09 -25.6 62.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.747 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -76.34 -26.42 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.435 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -102.71 28.27 6.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.736 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.781 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.7 mt -41.89 168.5 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.781 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 18.9 Cg_exo -2.66 122.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 124.804 3.669 . . . . 0.0 115.02 -132.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m 156.43 -52.67 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 111.926 -2.397 . . . . 0.0 107.7 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.49 28.06 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.13 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.758 ' HE3' ' HD3' ' B' ' 34' ' ' PRO . 4.1 t-105 -59.19 -29.15 67.26 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.267 0.556 . . . . 0.0 109.986 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.42 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 63.7 t30 -64.28 -27.21 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.466 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.42 ' HG2' HG23 ' B' ' 43' ' ' VAL . 60.1 ttt180 -94.38 2.35 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -47.66 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.681 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 48.4 ttm -62.59 -44.61 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.818 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.657 ' HG2' ' HD3' ' B' ' 46' ' ' LYS . 10.4 tt0 -58.76 -59.2 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.466 HG22 HD22 ' B' ' 29' ' ' LEU . 93.4 t -56.25 -41.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.827 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.35 92.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.165 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.82 -45.24 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.657 ' HD3' ' HG2' ' B' ' 42' ' ' GLU . 39.0 mtpt -62.85 -40.33 97.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.363 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.9 m -65.89 -48.82 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.732 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.573 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.25 -44.53 83.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.298 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' B' ' 54' ' ' LEU . . . -64.8 -41.5 95.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -73.87 -30.89 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.75 -52.11 67.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.959 0.409 . . . . 0.0 109.939 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -65.67 -38.11 88.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 50' ' ' ALA . 0.4 OUTLIER -60.16 -51.25 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 -178.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 33.3 t70 -72.83 -34.93 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.632 0.254 . . . . 0.0 110.828 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.58 -47.07 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 110.615 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.14 -38.29 87.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.445 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 36.3 ttt180 -58.2 -44.56 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.067 178.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.3 mmtt -62.85 -48.4 79.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.169 0.509 . . . . 0.0 110.1 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.2 t -60.87 -56.87 16.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t -62.75 -36.97 84.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.45 74.21 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.016 -176.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -74.66 -38.54 62.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.007 0.432 . . . . 0.0 110.215 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 64' ' ' LEU . 1.0 OUTLIER -68.28 -35.87 78.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.799 -176.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -84.45 6.4 23.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 74.58 17.94 2.92 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.636 0.585 . . . . 0.0 110.575 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 60.14 86.49 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.768 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -95.46 177.27 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -70.49 173.34 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.675 0.75 . . . . 0.0 112.916 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -97.14 154.62 17.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.372 -1.285 . . . . 0.0 109.64 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.138 176.563 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -115.13 -6.26 12.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.066 0.936 . . . . 0.0 110.032 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -138.91 139.1 37.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.395 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 111.97 0.64 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 170.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.96 76.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.55 -52.55 63.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.12 -38.97 90.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.77 -49.95 75.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.881 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.23 -47.89 84.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.72 94.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -65.59 -52.62 50.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.764 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.5 -39.38 87.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.481 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -59.58 -47.93 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.532 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.9 -44.46 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.382 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.81 -47.95 81.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.881 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.0 -44.47 95.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.284 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.995 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 28.4 m -64.96 -32.92 74.87 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.57 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HA ' HD11 ' B' ' 33' ' ' LEU . 55.3 tttp -55.09 -52.46 63.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -75.21 -30.52 60.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.134 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -43.25 76.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.545 0.212 . . . . 0.0 110.938 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.43 -40.15 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' B' ' 31' ' ' GLU . 30.1 t-80 -57.86 -47.01 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.034 177.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.72 -34.73 76.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 40' ' ' ILE . 50.2 tp -64.48 -49.75 70.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' B' ' 27' ' ' HIS . . . -64.68 -25.25 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.953 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.99 -28.14 63.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.337 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.66 25.81 5.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.905 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -46.96 173.95 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.905 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.55 19.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 1 C-N-CA 126.037 4.491 . . . . 0.0 117.878 -141.742 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.584 ' H ' ' C ' ' A' ' 33' ' ' LEU . 1.4 m -137.68 151.44 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 163.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.88 12.78 37.23 Favored Glycine 0 C--N 1.319 -0.4 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.919 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.743 ' HE1' ' HA ' ' B' ' 48' ' ' TYR . 3.7 t-105 -57.4 -31.9 66.3 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.265 0.555 . . . . 0.0 110.137 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 52.2 t30 -60.23 -31.05 69.81 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.173 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -82.41 -9.0 59.62 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 ' HA ' HD23 ' A' ' 29' ' ' LEU . 35.9 mt -53.99 -49.34 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.102 0.251 . . . . 0.0 111.507 -177.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.11 -27.87 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.48 -60.43 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.601 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -41.41 84.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.23 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.52 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.212 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.55 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 38.1 tt0 -63.47 -46.94 83.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.197 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -61.46 -45.12 95.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.52 -51.89 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.624 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.42 -41.05 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.895 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.75 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.241 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -69.21 -34.53 75.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.045 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -60.2 -55.46 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.89 -30.83 71.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.266 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.54 -51.05 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 1.012 ' HA ' ' HG2' ' A' ' 58' ' ' ARG . 23.0 t70 -69.8 -33.96 73.07 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.847 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.21 -28.73 67.51 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.927 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -77.36 -40.08 45.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 1.012 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 2.1 ptm180 -71.23 -32.12 68.4 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -59.73 -43.77 94.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.024 0.44 . . . . 0.0 110.09 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 t -61.0 -51.97 66.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.089 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.49 HG21 ' HA ' ' A' ' 58' ' ' ARG . 7.3 t -68.92 -31.67 70.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.693 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.9 78.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -65.14 -44.43 88.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.697 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.43 -27.17 62.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 110.946 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.23 -11.7 59.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.538 0.685 . . . . 0.0 109.733 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.84 31.41 16.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.107 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -121.45 120.94 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.9 m80 58.79 36.51 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -61.07 -32.22 71.87 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.212 0.529 . . . . 0.0 109.637 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -124.54 130.67 52.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.143 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.84 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 1' ' ' MET . 45.9 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.763 0.316 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -75.52 129.72 37.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -123.47 126.62 47.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -175.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.606 ' O ' ' HG ' ' B' ' 8' ' ' LEU . . . -159.14 114.9 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.495 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.433 ' HA ' HD11 ' B' ' 8' ' ' LEU . . . -67.16 -29.14 68.76 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.13 -44.04 85.39 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.23 0.538 . . . . 0.0 110.447 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.07 -37.92 81.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.024 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' B' ' 4' ' ' GLY . 61.0 mt -59.16 -48.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.569 176.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.27 -49.83 76.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.05 71.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -66.76 -53.46 32.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.401 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 55.5 tp -61.68 -40.83 96.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 110.148 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -48.29 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -65.02 -39.93 94.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.01 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.89 -41.13 91.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -58.72 -48.69 80.3 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.038 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.44 90.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.012 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.81 -47.73 83.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.41 81.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -39.27 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.872 0.367 . . . . 0.0 110.978 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.68 90.03 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.533 ' HB3' ' OG1' ' B' ' 47' ' ' THR . 4.3 mm? -72.62 -34.8 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.582 ' HG3' HD12 ' A' ' 33' ' ' LEU . 78.5 tttt -53.24 -53.59 48.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.426 178.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptm -69.58 -31.86 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.388 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -69.09 -43.96 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.737 0.303 . . . . 0.0 110.406 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.09 -40.17 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.463 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 23.2 t-160 -61.29 -39.69 91.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.181 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.14 -49.33 36.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.191 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.1 -33.77 71.23 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.677 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.9 tt0 -86.03 -35.53 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.116 0.484 . . . . 0.0 110.201 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.73 25.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.934 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.825 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 13.2 mt -49.74 169.38 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.698 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.825 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.9 Cg_exo -1.33 121.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 124.785 3.657 . . . . 0.0 115.36 -134.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.3 m 168.38 -51.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.227 -2.715 . . . . 0.0 105.435 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.02 36.2 2.25 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.636 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.539 ' HA ' HG13 ' B' ' 40' ' ' ILE . 64.9 p-90 -64.84 -20.72 66.55 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -67.03 -17.84 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.35 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.532 ' HG2' HG21 ' B' ' 43' ' ' VAL . 28.3 ttt180 -97.36 -4.34 38.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.254 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' B' ' 37' ' ' TRP . 73.4 mt -54.99 -51.98 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 97.8 mmm -66.96 -42.73 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.346 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.532 HG21 ' HG2' ' B' ' 39' ' ' ARG . 72.0 t -57.58 -52.57 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.05 68.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.092 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.95 -51.88 67.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.904 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.45 -42.89 78.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.641 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.651 HG23 ' CZ2' ' A' ' 37' ' ' TRP . 17.3 m -63.97 -45.85 87.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.743 ' HA ' ' HE1' ' A' ' 37' ' ' TRP . 44.2 t80 -65.02 -44.75 88.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -49.66 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.553 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.82 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -67.8 -34.14 76.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 52' ' ' ARG . 10.0 mmt85 -62.58 -56.6 16.37 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.25 -34.98 74.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.63 -49.99 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.412 ' CG ' ' HZ2' ' B' ' 59' ' ' LYS . 21.4 t70 -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.37 -43.24 96.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 48.9 t80 -67.36 -36.09 80.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.045 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 14.4 mptt -65.81 -44.77 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 110.107 172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.7 m -60.67 -54.16 48.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.495 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 15.2 t -66.33 -31.97 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.41 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.43 -32.15 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.618 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.7 m -69.87 -30.77 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.675 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.94 -43.19 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.029 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.93 -17.25 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.62 0.724 . . . . 0.0 111.005 -177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -70.07 -14.83 62.85 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.176 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -130.94 85.98 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.5 0.667 . . . . 0.0 111.532 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -78.99 95.0 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -104.48 122.96 46.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.863 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.69 124.04 37.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.468 -175.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 p80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.246 -178.79 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -65.1 -48.78 72.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.477 . . . . 0.0 110.167 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.552 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.2 -51.56 69.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.783 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -62.37 -48.7 78.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.023 0.439 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.9 tttt -68.12 -47.69 67.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.464 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 tp -61.48 -42.01 98.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.455 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.61 -45.55 93.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.447 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -56.89 -47.61 80.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.661 175.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 85.2 mt -66.05 -39.54 90.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.377 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.14 -50.23 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.052 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.26 -50.7 70.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.74 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.462 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -64.66 -45.49 86.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.775 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.88 79.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 0.0 111.115 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 46' ' ' LYS . 90.1 mt -63.82 -41.68 97.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.788 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HG2' HD13 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -62.83 -39.02 93.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.324 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -72.36 -40.5 67.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.556 0.217 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 -33.16 72.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.39 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.94 -40.37 96.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.342 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -58.93 -38.73 79.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.409 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.64 -38.26 59.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.88 -32.26 73.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -29.81 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.61 -21.64 28.36 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.334 0.588 . . . . 0.0 110.312 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.55 29.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.903 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.933 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.1 mt -56.02 167.86 0.79 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.732 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.933 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 10.77 20.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.489 1 C-N-CA 127.41 5.407 . . . . 0.0 119.136 -153.176 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 33' ' ' LEU . 6.3 m -103.6 -55.86 2.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 167.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 28.85 13.2 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.524 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HA ' HG13 ' A' ' 40' ' ' ILE . 9.3 p-90 -60.2 -25.21 65.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.83 -14.95 60.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 110.137 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 33.8 ttt180 -105.87 1.82 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.316 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.613 HG13 ' HA ' ' A' ' 37' ' ' TRP . 77.5 mt -54.07 -51.63 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.93 -24.91 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.54 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 32.9 tt0 -62.29 -62.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.13 0.491 . . . . 0.0 110.354 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.85 -32.13 56.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.626 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.65 84.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.08 -50.18 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.216 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -59.4 -45.03 92.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.637 -175.719 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.8 m -63.77 -44.35 93.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.15 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.57 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.6 tm-20 -65.96 -41.28 91.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.671 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.18 95.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.72 0.295 . . . . 0.0 111.167 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.43 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 24.3 m-85 -74.77 -29.15 61.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -71.41 -39.42 71.13 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.194 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.39 -34.73 74.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.038 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 58.1 tp -60.1 -43.85 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.734 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.24 -40.08 86.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.576 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 24.4 mm-40 -57.91 -37.18 73.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -67.85 -44.15 77.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.276 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 24.8 mtm180 -61.32 -44.18 97.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.463 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 17.4 ptmt -70.02 -32.83 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.892 0.377 . . . . 0.0 110.989 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 m -75.75 -42.08 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.274 179.722 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.24 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -73.5 -47.42 41.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.673 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.13 -31.94 66.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.86 -38.89 92.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.199 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -65.4 -40.13 93.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.378 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.26 96.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.385 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -50.73 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.02 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 65.0 tp -60.68 -41.62 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.717 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.57 -49.27 76.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -62.09 -36.09 80.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.865 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.62 -41.68 68.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.17 -51.58 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.375 . . . . 0.0 110.17 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 27.3 tt0 -67.58 -50.75 56.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.21 89.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.88 -42.35 97.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.84 92.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 78.4 mt -69.94 -31.14 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -66.48 -47.36 73.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.83 -33.66 72.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.98 -45.99 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.17 -43.29 98.66 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.62 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 66.4 t60 -59.46 -44.59 92.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.484 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -43.09 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.045 177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' B' ' 40' ' ' ILE . 45.2 tp -66.18 -34.56 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.86 95.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 6.6 pt-20 -86.38 -21.48 27.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.195 0.521 . . . . 0.0 111.443 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -83.52 18.09 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.0 mt -48.88 173.38 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.45 19.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.388 1 C-N-CA 126.349 4.699 . . . . 0.0 117.945 -144.583 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 33' ' ' LEU . 5.4 m -130.47 154.54 47.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 159.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.37 9.47 17.15 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.815 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 24.8 p90 -55.75 -25.9 43.04 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.11 0.455 . . . . 0.0 111.614 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -72.05 -16.06 62.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.473 ' HG2' HG23 ' B' ' 43' ' ' VAL . 45.3 ttt180 -107.78 3.08 24.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.533 -176.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 61.7 mt -56.79 -51.59 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.1 ttm -66.21 -35.75 81.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE3' ' B' ' 46' ' ' LYS . 34.2 tt0 -60.86 -60.05 4.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.821 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' B' ' 39' ' ' ARG . 48.9 t -61.33 -43.52 96.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.112 -177.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.67 80.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.315 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.28 -43.12 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.26 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HG2' ' B' ' 42' ' ' GLU . 96.3 mttt -56.73 -50.08 73.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 9.6 m -63.83 -41.9 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.052 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -65.25 -46.82 79.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.872 0.368 . . . . 0.0 110.649 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.5 tp10 -61.5 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . -61.09 -47.15 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -61.81 -42.86 99.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 1.1 ppt_? -66.06 -33.11 75.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.1 -34.35 59.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.581 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 50' ' ' ALA . 73.9 mt -62.39 -49.57 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.095 0.474 . . . . 0.0 109.818 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' B' ' 59' ' ' LYS . 20.2 t70 -59.81 -43.04 94.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.324 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.2 -54.72 39.71 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.508 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 91.7 t80 -59.94 -39.9 87.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.228 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -61.72 -38.36 87.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.168 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 55' ' ' ASP . 0.9 OUTLIER -73.88 -42.85 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 177.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m -64.51 -48.5 74.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.679 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.968 -177.303 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.53 -55.16 12.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 111.271 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.72 -29.76 67.22 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.542 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.3 -48.88 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -61.68 -44.33 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.41 98.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.245 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -73.7 -45.23 53.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.283 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.15 -42.76 86.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -53.32 -51.21 63.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.526 . . . . 0.0 110.66 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 13.2 tppt? -60.49 -49.5 77.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.256 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 54' ' ' LEU . 93.2 mt -65.82 -42.16 90.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.266 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.67 -45.22 93.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.82 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.859 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.94 -42.85 94.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.963 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.39 92.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.799 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -64.57 -37.01 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.29 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mm? -67.43 -31.67 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.255 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG2' HD13 ' B' ' 33' ' ' LEU . 12.8 tmtt? -56.78 -44.82 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 0.0 109.673 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 44.0 ttp -75.47 -42.42 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.274 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.51 -40.95 89.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.535 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.72 -38.42 90.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 25.8 t-80 -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.93 -41.7 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 111.247 -177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 43' ' ' VAL . 36.6 tp -74.05 -29.05 61.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 110.931 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 7.0 mm-40 -80.83 -45.41 16.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.096 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -90.49 49.3 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.808 0.813 . . . . 0.0 110.529 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.9 mt -67.37 171.17 5.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.431 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.858 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 29.0 Cg_exo -3.06 121.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.495 0 C-N-CA 125.001 3.801 . . . . 0.0 115.338 -136.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m 160.99 -51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.206 -2.725 . . . . 0.0 106.147 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.0 24.99 9.09 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.188 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.639 ' HA ' HG13 ' A' ' 40' ' ' ILE . 52.7 p-90 -58.39 -24.59 60.41 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.3 0.64 . . . . 0.0 112.128 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.87 -24.11 67.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.056 0.455 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -104.2 5.75 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.351 -174.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.639 HG13 ' HA ' ' A' ' 37' ' ' TRP . 64.6 mt -55.72 -51.12 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.236 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.0 tpp -56.0 -45.64 78.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.002 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.8 tt0 -56.97 -54.92 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG21 HD22 ' A' ' 29' ' ' LEU . 42.6 t -58.92 -44.83 91.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.713 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.937 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.74 -47.57 85.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 54.6 mtmt -66.47 -30.57 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.227 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.535 ' O ' ' HD2' ' A' ' 51' ' ' TYR . 61.0 m -68.32 -50.19 55.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.915 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 64.6 t80 -67.63 -37.77 82.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.179 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 9.6 pt-20 -58.34 -45.6 87.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.659 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -65.94 -47.03 76.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.566 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HD2' ' O ' ' A' ' 47' ' ' THR . 47.4 m-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 16.4 tpp180 -60.75 -55.24 35.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.689 175.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 12.9 mm-40 -59.34 -37.64 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.557 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 15' ' ' LEU . 65.6 tp -60.51 -51.41 69.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.557 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 38.1 t70 -68.43 -38.89 81.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.528 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 57.1 mm-40 -55.96 -48.72 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 176.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -61.65 -41.21 97.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.295 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' ASP . 65.1 mtp180 -63.77 -37.8 88.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.585 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 32.1 mmtp -74.14 -39.87 62.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.442 . . . . 0.0 110.816 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -61.7 -50.0 74.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.196 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.408 -175.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.194 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.76 -55.35 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.566 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.16 -35.53 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' B' ' 57' ' ' PHE . 50.2 mt -63.57 -42.4 98.32 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.358 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -71.49 -36.71 71.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.35 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.84 91.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -62.47 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.66 -40.52 87.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.25 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.66 -47.91 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.569 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 14' ' ' LYS . 14.4 tppt? -56.56 -49.73 73.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.247 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.3 mm? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.55 -43.82 98.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.229 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.39 84.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.79 -43.25 99.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.466 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -64.22 -35.76 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.8 m -71.57 -34.51 70.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.164 0.507 . . . . 0.0 110.402 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.63 84.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' B' ' 25' ' ' ASP . 95.8 mt -70.6 -26.85 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.516 ' HE3' HD12 ' A' ' 33' ' ' LEU . 1.3 tmtp? -57.25 -50.84 71.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.75 -27.58 58.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.981 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' B' ' 22' ' ' LEU . 24.6 t0 -64.97 -48.36 74.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.31 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.24 -38.28 78.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.739 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -59.45 -46.54 88.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.85 -38.39 88.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.502 HD22 HG21 ' B' ' 43' ' ' VAL . 58.8 tp -66.01 -37.11 85.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.32 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.212 0.529 . . . . 0.0 110.61 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.03 -22.39 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.97 6.45 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.516 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 1.008 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.4 mt -41.54 171.37 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.59 1.156 . . . . 0.0 114.034 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 1.008 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 19.84 20.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 1 C-N-CA 126.089 4.526 . . . . 0.0 117.93 -144.506 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.3 m -138.34 153.25 48.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 162.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.72 8.44 2.87 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.425 -0.417 . . . . 0.0 113.968 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -60.67 -19.22 57.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 112.195 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.41 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 65.2 t30 -72.73 -22.84 60.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.069 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.66 -12.13 59.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.807 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.481 ' HA ' HD21 ' B' ' 29' ' ' LEU . 52.2 mt -52.47 -45.94 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.719 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -59.96 -45.7 91.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.984 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 34.1 tt0 -63.86 -55.45 22.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.502 HG21 HD22 ' B' ' 29' ' ' LEU . 40.6 t -60.42 -44.65 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.272 -177.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.61 99.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.25 -48.72 80.16 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.169 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.1 mtmt -56.93 -48.63 77.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -58.94 -47.5 84.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.14 -49.31 70.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -58.92 -36.95 75.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.664 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.2 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.188 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 22.5 m-85 -65.88 -31.46 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.977 0.417 . . . . 0.0 110.766 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.13 -55.61 20.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.521 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.41 83.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.588 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.48 -49.85 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' B' ' 58' ' ' ARG . 29.1 t70 -68.76 -29.05 67.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.33 -50.24 66.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.672 0.272 . . . . 0.0 110.887 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.449 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 10.3 t80 -72.15 -28.26 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 69.2 ttt180 -58.52 -51.23 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 172.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 58.4 mmtt -55.93 -46.45 78.49 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -60.21 -59.62 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.009 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.234 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.66 -49.66 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 0.0 110.116 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.64 -36.85 85.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.159 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.69 -48.02 81.12 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.605 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -62.36 -43.57 98.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.449 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.91 85.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.833 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.18 -48.88 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 61.6 tp -60.97 -40.32 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -57.55 -44.25 85.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.302 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -59.06 -50.75 72.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.998 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -37.81 88.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.101 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -57.08 -52.36 65.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.44 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.6 -50.25 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.131 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.96 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.324 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 m -69.37 -38.7 78.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.851 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.43 94.22 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.302 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.1 mm? -72.5 -39.4 67.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -52.75 -55.43 22.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.3 ptp -67.74 -29.89 69.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.15 -52.55 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.032 0.444 . . . . 0.0 109.862 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HG12 ' A' ' 43' ' ' VAL . 58.6 tp -64.49 -35.65 81.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.161 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.496 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 35.8 t-80 -54.43 -57.69 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.26 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -71.19 -26.35 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.512 -175.706 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.4 tp -66.2 -45.38 81.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.896 0.379 . . . . 0.0 110.06 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.552 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . . . -75.49 -26.88 58.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.362 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 4.0 mm-40 -57.76 -45.65 85.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.833 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.47 76.61 1.04 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.496 0.665 . . . . 0.0 109.274 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.764 HD13 ' HG3' ' B' ' 23' ' ' LYS . 5.3 mt -64.55 178.75 0.43 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.115 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 4.6 Cg_exo 7.21 122.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.875 1 C-N-CA 125.628 4.219 . . . . 0.0 115.96 -129.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 34' ' ' PRO . 1.1 p 153.72 128.62 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 110.383 -3.099 . . . . 0.0 104.823 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.94 16.26 2.86 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.606 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HA ' HG13 ' A' ' 40' ' ' ILE . 18.6 p90 -61.34 -18.56 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.306 0.553 . . . . 0.0 111.869 -177.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.48 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 27.7 t-20 -68.57 -23.86 64.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.639 0.733 . . . . 0.0 109.761 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -95.84 3.89 53.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.668 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.597 HG13 ' HA ' ' A' ' 37' ' ' TRP . 24.0 mt -55.66 -43.18 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.41 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.4 mmt -56.89 -46.29 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.978 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -58.88 6.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.993 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 26' ' ' LEU . 22.1 t -58.1 -45.5 88.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.279 -177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.6 98.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.085 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.96 -47.9 78.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.19 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -60.99 -41.88 97.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.127 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 62.0 m -61.3 -49.73 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 87.0 t80 -65.98 -42.82 89.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.851 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.04 -54.67 44.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.734 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.93 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.284 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.96 -41.18 87.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.04 -49.91 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.139 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -54.72 -39.18 67.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.878 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.48 -50.01 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 109.948 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 29.1 t70 -65.71 -32.95 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -71.17 -36.97 72.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.891 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 61.2 t80 -67.24 -35.38 79.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HA ' HG22 ' A' ' 61' ' ' THR . 12.6 ttm180 -60.78 -42.21 97.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.684 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.5 mmtm -54.13 -48.89 70.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.392 0.615 . . . . 0.0 109.516 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.4 m -62.32 -53.38 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.913 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 58' ' ' ARG . 14.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.449 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.32 -46.46 60.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.56 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.52 -49.08 71.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.509 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 61' ' ' THR . 3.6 tt -57.08 -51.2 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.905 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.17 -45.93 82.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.9 85.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.74 -45.21 68.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.72 -42.1 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.321 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.16 -52.14 66.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.63 -45.93 92.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.135 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' LEU . 88.7 mt -67.31 -45.01 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.715 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -61.29 -44.77 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.11 89.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -65.52 -44.6 86.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -27.45 68.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.936 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.522 ' HA ' ' HZ3' ' B' ' 23' ' ' LYS . 55.1 m -75.09 -46.09 36.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.711 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 24' ' ' MET . . . -60.33 -53.67 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.612 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -65.22 -31.38 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.354 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.764 ' HG3' HD13 ' A' ' 33' ' ' LEU . 7.6 ttpm? -63.76 -44.22 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.279 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 23.9 ptp -72.04 -34.53 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.835 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -50.31 65.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.889 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.37 -40.71 95.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 3.7 t-160 -59.49 -51.07 71.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.481 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.02 -32.73 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.16 -40.09 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.6 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.859 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.35 -27.86 63.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.272 0.558 . . . . 0.0 110.895 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.58 -22.16 59.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.035 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.41 25.99 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.195 0.521 . . . . 0.0 110.373 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 1.024 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.3 mt -45.86 174.76 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.409 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 1.024 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 24.05 21.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.424 1 C-N-CA 125.789 4.326 . . . . 0.0 117.787 -146.413 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -126.67 136.0 51.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 159.782 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.24 21.12 63.79 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.51 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.515 ' HA ' HG13 ' B' ' 40' ' ' ILE . 41.5 p90 -58.32 -22.83 54.53 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 67.2 t30 -65.49 -21.63 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.902 -0.499 . . . . 0.0 110.548 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -92.48 -2.85 55.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.515 HG13 ' HA ' ' B' ' 37' ' ' TRP . 69.5 mt -53.5 -51.9 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 86.4 mtp -72.1 -44.69 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 30.1 tt0 -61.36 -46.96 88.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.809 0.337 . . . . 0.0 110.772 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.2 -42.19 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.285 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.47 93.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.992 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' B' ' 41' ' ' MET . 79.5 mt-10 -53.2 -57.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.098 0.475 . . . . 0.0 110.783 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' B' ' 42' ' ' GLU . 11.9 mptt -66.07 -35.86 81.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.041 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' B' ' 22' ' ' LEU . 39.2 m -64.91 -50.73 65.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.48 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 62.2 t80 -66.58 -41.07 89.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 9.9 tp10 -53.67 -52.34 60.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.05 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.74 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.93 -29.51 69.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.619 0.247 . . . . 0.0 111.662 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.96 -47.1 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 109.985 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 49' ' ' GLU . 87.6 mm-40 -59.92 -38.46 82.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.731 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 2.1 mm? -59.83 -48.59 81.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.79 175.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.96 -50.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.72 -41.61 97.86 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 120.932 0.396 . . . . 0.0 110.69 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.75 -46.15 91.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.832 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -63.31 -34.73 78.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.342 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -69.91 -41.35 74.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -67.59 -43.4 80.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.182 0.515 . . . . 0.0 109.942 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.664 HG23 HD11 ' B' ' 8' ' ' LEU . 98.4 m . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.91 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.117 0.484 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.17 -53.44 55.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.62 -34.62 77.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.901 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -54.27 -51.74 63.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.059 175.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -69.45 -34.77 74.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.085 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.37 85.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 82.7 tttt -67.93 -42.01 81.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.889 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.55 -42.06 99.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.203 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -52.87 -48.17 67.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.08 0.466 . . . . 0.0 110.527 175.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.15 -54.9 41.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.214 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 54' ' ' LEU . 98.4 mt -64.53 -42.12 95.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.836 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -60.98 -46.0 92.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.472 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.32 92.89 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.68 -47.34 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.31 87.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 m -67.37 -40.35 85.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.84 83.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.053 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -70.02 -31.9 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 39.6 ttmt -55.73 -48.81 74.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -68.22 -37.6 81.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.756 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.63 -50.75 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.394 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.77 -40.89 83.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' B' ' 31' ' ' GLU . 21.1 t60 -60.47 -42.83 97.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.491 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.88 -42.56 85.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.44 -36.08 76.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.091 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.26 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.158 0.504 . . . . 0.0 110.676 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.59 -40.57 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.388 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.38 65.36 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.015 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.897 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -65.97 172.9 2.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.677 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.897 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 13.53 -166.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 125.898 4.399 . . . . 0.0 116.595 -141.132 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.0 m 72.39 -56.3 0.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.158 -166.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.32 25.37 12.51 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.211 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' HA ' HG13 ' A' ' 40' ' ' ILE . 21.8 p90 -56.64 -25.51 53.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.046 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.26 -25.61 67.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.615 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG2' HG23 ' A' ' 43' ' ' VAL . 49.3 ttt180 -106.13 4.33 28.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.971 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.546 HG13 ' HA ' ' A' ' 37' ' ' TRP . 69.3 mt -53.52 -51.27 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.632 0.253 . . . . 0.0 111.68 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 52.8 ttm -68.56 -43.56 76.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.955 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.96 -47.92 79.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 39' ' ' ARG . 89.4 t -62.26 -48.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.51 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.91 74.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.661 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 41' ' ' MET . 74.3 mt-10 -50.71 -60.75 2.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 122.877 0.471 . . . . 0.0 111.35 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.34 -28.16 62.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.02 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 m -62.42 -54.26 42.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 84.2 t80 -65.29 -44.65 87.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.43 -32.72 70.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.74 -52.74 40.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.578 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -59.83 -39.5 85.31 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.868 0.366 . . . . 0.0 110.603 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.05 -56.03 27.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.828 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.99 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.557 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.0 tt -63.2 -48.24 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.824 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' ARG . 37.8 t70 -71.81 -31.25 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.651 0.263 . . . . 0.0 111.077 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.28 -41.9 93.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.37 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 49.7 t80 -69.58 -38.32 77.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.527 175.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 45.0 ttt180 -57.23 -46.23 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.18 175.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -59.03 -48.96 79.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.63 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -60.91 -45.12 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.803 -178.619 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.49 -56.19 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.763 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.45 -32.98 70.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.21 -36.63 82.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.33 -47.94 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.291 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.29 93.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.729 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -52.95 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.358 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.333 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.5 -47.05 80.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -60.83 -51.16 70.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.732 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' B' ' 54' ' ' LEU . 79.4 mt -65.68 -45.24 83.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.707 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.0 111.09 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.75 -40.56 72.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.724 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -66.05 -44.27 85.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.6 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.041 0.448 . . . . 0.0 110.881 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -67.2 -38.4 85.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.64 79.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' B' ' 46' ' ' LYS . 3.6 mm? -63.14 -26.5 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.486 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -55.69 -54.9 38.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.857 0.36 . . . . 0.0 110.656 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.12 -24.41 58.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.34 -36.66 68.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.036 0.446 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.428 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.6 tp -81.19 -45.5 16.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.16 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -50.97 -54.82 21.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.88 -25.53 59.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.946 -173.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.88 -40.74 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.035 0.445 . . . . 0.0 110.201 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -74.81 -25.13 58.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.539 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 39.5 tt0 -78.05 -43.71 28.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.691 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.12 27.23 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.752 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.797 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.0 mt -40.8 169.5 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.797 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 5.3 Cg_exo 2.63 122.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.624 0 C-N-CA 125.08 3.854 . . . . 0.0 115.609 -131.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 34' ' ' PRO . 1.4 p 175.15 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 111.411 -2.631 . . . . 0.0 106.55 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.61 43.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.372 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.524 ' H ' ' HE3' ' B' ' 37' ' ' TRP . 5.7 p90 -55.26 -27.57 47.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.052 0.541 . . . . 0.0 111.725 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.402 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.3 t-20 -65.45 -26.03 67.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.511 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -88.82 -3.49 58.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.332 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.45 -44.24 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.08 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 95.5 mmm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.83 -53.29 59.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.351 0.596 . . . . 0.0 110.132 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.488 ' HA ' ' HE2' ' B' ' 46' ' ' LYS . 40.9 t -64.54 -42.83 96.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.887 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.86 79.34 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.962 0.41 . . . . 0.0 110.357 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 49' ' ' GLU . 34.2 mt-10 -60.78 -57.8 11.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.716 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' B' ' 22' ' ' LEU . 50.4 mtmt -58.88 -50.51 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.619 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -66.13 -46.52 77.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.538 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.01 -44.97 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 45' ' ' GLU . 2.4 tm-20 -59.11 -48.42 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.852 -178.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.07 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.485 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.6 m-85 -66.4 -40.67 89.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -61.49 -48.73 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -66.6 -37.45 84.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' B' ' 15' ' ' LEU . 66.4 tp -59.13 -49.73 76.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.591 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 27.2 t70 -67.93 -41.94 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.9 -45.1 94.1 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.652 0.263 . . . . 0.0 111.547 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -61.43 -37.24 82.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' B' ' 61' ' ' THR . 0.0 OUTLIER -64.69 -35.76 82.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.727 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.5 mmtt -63.53 -49.79 72.1 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.219 0.533 . . . . 0.0 109.629 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -62.23 -38.71 90.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.749 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.526 HG22 ' HA ' ' B' ' 58' ' ' ARG . 14.8 t . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.343 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.51 -45.33 83.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.405 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.99 -36.76 75.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.051 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 3.7 mm? -57.66 -48.75 78.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.391 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -66.15 -40.19 90.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.98 0.419 . . . . 0.0 110.873 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -66.71 -46.57 75.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.889 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 61' ' ' THR . 54.1 tp -59.01 -44.48 91.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.856 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.85 -51.65 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.696 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.43 -49.64 75.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.808 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.03 -42.06 97.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.678 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 26.2 t-20 -60.6 -50.9 71.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.014 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.54 91.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.21 -47.74 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.21 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.7 m -60.34 -45.6 92.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.184 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.35 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.152 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.326 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' B' ' 33' ' ' LEU . 34.3 ttpt -66.42 -44.81 81.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.78 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.28 -48.7 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -63.26 -35.78 81.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.75 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.92 -38.98 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.89 -34.44 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.792 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -70.39 -25.55 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.501 . . . . 0.0 110.533 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.614 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.99 76.06 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 0.0 109.762 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.875 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.1 mt -87.66 171.03 10.38 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.084 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.875 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 8.9 Cg_exo -3.65 121.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.782 0 C-N-CA 125.006 3.804 . . . . 0.0 115.399 -136.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 175.32 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 111.065 -2.789 . . . . 0.0 106.194 -178.263 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.85 32.83 5.17 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.967 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.2 p-90 -56.51 -21.79 28.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.21 -32.01 71.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.085 0.469 . . . . 0.0 109.97 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 43' ' ' VAL . 39.7 ttt-85 -78.69 -7.89 58.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.627 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG13 ' HA ' ' A' ' 37' ' ' TRP . 35.5 mt -52.91 -41.94 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.044 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' B' ' 45' ' ' GLU . 97.1 mmm -65.86 -51.53 58.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 1.5 mp0 -55.54 -44.8 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.604 -177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 39' ' ' ARG . 51.7 t -66.27 -53.28 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.349 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.31 71.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.33 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' MET . 47.7 mt-10 -58.59 -57.29 13.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.203 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -73.97 -29.3 61.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.234 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.9 m -66.15 -51.45 57.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.416 0.151 . . . . 0.0 111.002 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -64.6 -48.85 73.39 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.565 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 57.9 mm-40 -59.62 -32.19 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -47.83 60.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.646 0.26 . . . . 0.0 110.513 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.25 -33.65 73.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 14.6 ptm180 -66.64 -41.59 88.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.279 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -37.49 70.91 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 16' ' ' ASN . 6.3 tt -57.52 -51.65 68.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.991 176.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 24.9 t70 -66.84 -35.35 79.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.658 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.77 -48.41 77.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.749 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.493 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 2.4 t80 -65.4 -36.25 83.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 58.5 ttt180 -56.41 -51.46 68.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.234 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -69.34 -32.04 70.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -178.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 m -68.59 -48.44 64.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.766 HG21 HD22 ' A' ' 12' ' ' LEU . 9.7 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.045 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.5 -50.68 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.43 -39.42 94.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.949 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.19 -51.5 66.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.31 -41.55 98.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.685 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.818 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.32 -44.94 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.2 tp -54.75 -46.23 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.891 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -55.03 -49.67 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.773 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -63.64 -48.3 77.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.193 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.25 -38.08 81.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.575 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.95 -46.42 90.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.04 90.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.58 -51.81 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.872 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.63 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.998 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -62.43 -45.91 90.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.285 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -48.98 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.328 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.4 mm? -62.69 -36.85 84.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.772 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.578 ' HG2' HD13 ' A' ' 33' ' ' LEU . 39.1 ttpt -56.0 -55.06 37.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 111.229 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 44.1 mtt -75.51 -28.44 59.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.97 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.87 -39.91 94.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.3 -39.01 93.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.497 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 19.1 t-80 -57.17 -51.93 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.676 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -26.17 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.3 -38.48 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.111 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.837 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.4 -26.64 66.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.0 110.614 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -74.41 -22.1 59.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.71 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -113.7 24.65 11.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.686 0.755 . . . . 0.0 110.192 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.6 mt -53.95 169.0 0.38 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.568 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 12.45 19.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 1 C-N-CA 127.403 5.402 . . . . 0.0 119.208 -150.367 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 33' ' ' LEU . 20.2 m -100.2 -53.6 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 165.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.82 37.35 3.87 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.478 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.686 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 8.4 p-90 -68.3 -7.81 34.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.945 0.403 . . . . 0.0 111.718 -176.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -77.3 -8.34 57.47 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.754 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.403 ' HB3' HG23 ' B' ' 43' ' ' VAL . 95.7 mtt180 -101.74 -7.72 22.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.608 HG13 ' HA ' ' B' ' 37' ' ' TRP . 64.0 mt -52.11 -54.01 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 81.7 mtp -77.95 -31.74 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -57.82 7.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' B' ' 39' ' ' ARG . 78.2 t -60.37 -48.03 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.616 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.96 91.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.386 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.5 tt0 -58.08 -55.03 40.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.393 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.573 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -63.64 -35.87 81.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.001 -178.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 71.4 m -60.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.01 -44.09 85.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 56.4 mt-10 -54.24 -46.08 72.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.001 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.308 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -67.04 -37.47 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 111.406 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -64.04 -52.02 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -66.19 -32.65 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.11 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 51.5 tp -60.99 -43.94 98.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.491 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -68.62 -38.22 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -61.62 -42.03 98.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 110.296 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.53 -47.08 86.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.595 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' B' ' 61' ' ' THR . 21.8 mtp180 -68.71 -25.76 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.372 0.606 . . . . 0.0 110.79 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.24 -42.1 60.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.03 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -70.78 -36.68 73.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.905 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.603 HG22 ' HA ' ' B' ' 58' ' ' ARG . 6.6 t . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.145 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -62.25 -52.96 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.841 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.2 -42.27 90.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.46 -51.24 70.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.83 -178.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -71.81 -32.77 67.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.93 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.01 76.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.945 0.403 . . . . 0.0 110.806 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 15' ' ' LEU . 33.3 tttp -74.94 -39.49 61.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.14 -40.18 84.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.327 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -52.37 -48.9 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.32 -52.84 43.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.378 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 ' HB3' HD13 ' A' ' 54' ' ' LEU . 4.3 mm? -61.5 -40.35 94.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.768 -176.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -62.17 -52.72 62.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.437 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.72 96.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.935 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.02 -51.09 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.742 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -61.2 -45.34 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.523 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -54.94 41.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.067 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.1 mm? -64.98 -37.58 88.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.647 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 51' ' ' TYR . 33.3 ttmt -55.26 -51.56 66.27 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.4 ptp -75.43 -38.18 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.59 -45.1 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.971 -174.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.18 -35.3 78.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' HD2' ' HB1' ' B' ' 30' ' ' ALA . 15.6 t-160 -56.29 -50.78 70.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.497 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.21 -32.34 61.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.79 -40.23 96.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 -26.73 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -84.95 -22.93 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -90.71 56.97 3.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.978 0.894 . . . . 0.0 109.663 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.958 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -63.96 168.76 5.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.906 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.958 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 9.98 20.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.392 1 C-N-CA 127.778 5.652 . . . . 0.0 119.685 -154.269 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 33' ' ' LEU . 28.5 m -105.66 -69.07 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 168.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.04 0.78 89.58 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.685 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.696 ' HA ' HG13 ' A' ' 40' ' ' ILE . 6.4 t90 -53.03 -32.92 49.37 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.493 0.717 . . . . 0.0 111.454 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.11 -26.64 39.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.424 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -115.23 2.93 14.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.75 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.0 mt -57.24 -48.65 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.0 ttm -59.95 -40.67 89.79 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.9 tt0 -65.07 -49.62 69.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.313 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.0 -47.78 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.123 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.26 87.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -56.21 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.554 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.9 mtmt -67.24 -34.1 76.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.651 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 45.4 m -62.51 -47.75 82.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 110.152 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.6 -47.57 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.198 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.71 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 5.2 mm-40 -62.01 -44.62 96.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.19 98.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.392 . . . . 0.0 110.612 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' HE1' ' HE2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -73.07 -38.45 66.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -178.071 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.71 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 2.9 ptm180 -66.92 -37.96 85.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.43 -40.4 77.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.358 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 15' ' ' LEU . 65.8 tp -62.99 -45.1 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.04 -45.38 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -59.87 -43.04 94.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.146 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.81 -42.05 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 110.314 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -66.17 -41.67 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -60.66 -46.8 88.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.296 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -60.31 -50.96 71.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.271 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.045 -177.628 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.65 -55.55 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.419 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 11' ' ' LYS . 0.2 OUTLIER -60.78 -40.91 94.34 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.434 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.431 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 2.0 tt -61.12 -46.77 89.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.011 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 1.4 tptm -76.29 -42.47 45.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.289 -175.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.56 81.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.842 0.353 . . . . 0.0 110.341 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' B' ' 7' ' ' GLU . 12.8 tttp -73.53 -43.77 59.16 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.448 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.65 -47.11 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 2.1 tppp? -59.38 -49.07 79.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.483 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -59.85 -51.83 68.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.465 HD23 ' HG2' ' B' ' 11' ' ' LYS . 4.1 mm? -64.17 -42.96 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.052 0.453 . . . . 0.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.6 90.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.764 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -46.54 85.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.62 96.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.8 m -64.7 -33.5 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.63 80.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.261 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -66.3 -33.15 75.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -54.56 -50.71 67.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.684 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.06 -32.34 61.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.341 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -45.95 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.645 0.26 . . . . 0.0 110.716 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 47' ' ' THR . 49.1 tp -69.65 -43.84 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 12.7 t-80 -65.47 -39.47 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.119 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.17 -45.05 92.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.201 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 40' ' ' ILE . 20.9 tp -64.12 -36.26 83.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.877 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 27' ' ' HIS . . . -66.36 -38.52 87.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.756 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 19.5 mm-40 -73.5 -24.98 60.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.223 0.535 . . . . 0.0 110.242 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -99.22 26.75 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.144 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.929 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.4 mt -42.18 167.84 0.06 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.96 172.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.4 OUTLIER 8.89 134.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.279 1 C-N-CA 126.624 4.883 . . . . 0.0 116.921 -147.368 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.707 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 63.1 m 96.92 -45.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 113.37 -1.741 . . . . 0.0 109.837 -165.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 29' ' ' LEU . . . -88.44 -5.36 75.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.348 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.707 ' HD1' ' H ' ' B' ' 35' ' ' THR . 41.6 p-90 -65.13 -25.09 67.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.607 -174.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.3 -18.89 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.477 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -98.36 -5.79 32.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.663 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.58 HG13 ' HA ' ' B' ' 37' ' ' TRP . 47.4 mt -58.76 -51.74 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 46.4 ttm -61.24 -44.59 97.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.52 -48.79 66.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.067 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.69 -47.15 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.338 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.47 89.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.4 -55.84 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.75 -36.96 84.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.379 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.455 HG21 HD22 ' B' ' 26' ' ' LEU . 36.3 m -64.28 -48.05 77.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.774 0.321 . . . . 0.0 110.331 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.5 -46.8 88.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.084 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.85 -48.85 78.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.962 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.91 92.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.322 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.77 -32.12 67.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.475 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 17.6 ttm-85 -67.21 -46.36 74.08 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -63.05 -33.77 76.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.048 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.04 -45.56 80.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.96 98.91 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 39.2 mm-40 -62.93 -43.95 97.4 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.311 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 57.2 t80 -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -63.04 -47.77 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.991 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -54.66 -46.18 73.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.324 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.7 m -65.7 -50.45 64.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.376 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.252 -174.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.137 0.494 . . . . 0.0 111.513 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.24 -35.52 76.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.919 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 25.0 tp -61.08 -40.8 95.09 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -69.42 -38.25 77.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.73 73.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 15' ' ' LEU . 5.0 tmtm? -65.29 -47.37 76.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.534 175.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 60.0 tp -61.93 -40.98 97.37 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -52.46 -49.52 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.57 -50.82 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD11 ' HE3' ' A' ' 11' ' ' LYS . 81.9 mt -64.19 -45.99 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.404 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.65 -50.7 67.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.039 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.1 85.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -66.14 -49.13 68.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.67 96.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.313 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -68.64 -37.14 79.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.111 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -53.27 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -29.83 70.86 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' HE1' ' A' ' 51' ' ' TYR . 89.0 tttt -56.58 -43.92 80.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.409 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 25.5 mmt -76.32 -37.76 56.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.99 -43.98 98.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.461 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.15 -45.1 94.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.188 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -64.38 -38.45 91.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.506 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.18 -42.21 96.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.279 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 40' ' ' ILE . 41.1 tp -63.52 -35.93 82.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.45 85.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -22.16 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -90.01 13.78 13.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.472 0.653 . . . . 0.0 110.701 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.769 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.7 mt -56.71 173.58 0.3 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.841 169.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.769 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 10.53 127.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 124.897 3.731 . . . . 0.0 114.953 -131.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 56.3 m 96.52 -14.62 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 112.688 -2.051 . . . . 0.0 109.72 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.01 27.07 7.6 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.939 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 34' ' ' PRO . 98.1 m95 -71.25 -37.9 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 111.69 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.82 -12.98 61.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.986 0.422 . . . . 0.0 111.622 -169.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -95.69 -9.48 31.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.979 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.516 ' HA ' HD21 ' A' ' 29' ' ' LEU . 48.0 mt -53.76 -51.58 42.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.272 -174.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 1.0 OUTLIER -58.85 -43.46 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -64.99 -58.57 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.186 0.517 . . . . 0.0 110.771 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.71 -39.28 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.209 -176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.2 94.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.438 0.161 . . . . 0.0 110.797 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.6 -56.61 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.87 -47.2 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.196 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.405 HG22 ' CZ2' ' B' ' 37' ' ' TRP . 18.0 m -67.27 -44.78 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.874 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 75.4 t80 -60.85 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.935 0.398 . . . . 0.0 110.387 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 2.9 mm-40 -66.22 -42.4 88.77 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.994 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.34 93.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' HE1' ' HD2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.46 -32.82 74.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.037 0.446 . . . . 0.0 109.832 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 28.5 ttt180 -70.34 -42.78 71.45 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.878 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 27.3 mm-40 -59.83 -32.04 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.318 . . . . 0.0 110.57 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.83 -37.13 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 110.048 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.45 -37.76 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.492 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -55.29 -40.14 70.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 109.777 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 66.8 t80 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.081 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -60.68 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -59.08 -51.63 69.19 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.647 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -62.77 -49.56 74.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.525 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -175.55 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.537 0.208 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -60.61 -49.87 75.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.916 0.388 . . . . 0.0 110.994 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.35 -35.79 80.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.95 -48.43 71.34 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.14 -40.01 93.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.36 90.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.87 -47.83 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.546 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 -42.37 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.94 -50.27 73.12 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.29 -48.66 80.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.416 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.92 -50.99 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.014 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.12 99.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.353 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -61.57 -47.97 83.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.22 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.879 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 39.6 m -60.35 -42.17 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.968 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.19 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -33.28 74.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.436 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' B' ' 23' ' ' LYS . 35.5 ttpt -53.0 -51.27 62.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 0.0 110.551 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -76.1 -35.51 59.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.626 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.02 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.057 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tt -63.7 -49.75 71.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -66.18 -36.27 82.64 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.85 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.64 -42.45 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.389 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.08 -44.89 83.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.866 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.5 68.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.367 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.3 -25.46 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.251 0.548 . . . . 0.0 110.014 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -98.88 25.22 6.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.357 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 1.012 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.0 mt -43.83 174.13 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 1.012 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.04 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.395 1 C-N-CA 126.106 4.538 . . . . 0.0 118.014 -145.323 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -129.32 134.43 47.91 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 159.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.77 72.51 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.258 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' B' ' 33' ' ' LEU . 21.8 t-105 -58.09 -36.73 73.29 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 111.039 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.406 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 54.6 t30 -64.8 -22.39 66.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.533 . . . . 0.0 110.985 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' HG23 ' B' ' 43' ' ' VAL . 18.4 tpt180 -78.15 -16.39 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.495 HD11 HD21 ' B' ' 33' ' ' LEU . 56.6 mt -53.67 -51.79 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.388 -175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 55.9 tpp -58.22 -52.77 64.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.399 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 29.4 tt0 -56.97 -54.21 49.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.483 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG3' ' B' ' 39' ' ' ARG . 68.0 t -62.51 -46.89 95.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.2 -53.26 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.873 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.4 mtmt -67.34 -33.08 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.218 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.1 m -66.73 -44.05 82.57 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.297 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.37 -51.73 67.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.045 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.37 -37.54 78.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.894 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.71 72.14 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -65.96 -35.43 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -60.36 -52.67 64.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.368 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -62.81 -30.94 71.86 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.331 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.921 0.391 . . . . 0.0 110.232 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.37 -42.93 78.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.35 -28.5 68.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 111.32 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.4 -41.35 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' B' ' 61' ' ' THR . 16.7 mtp180 -64.08 -38.77 92.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.762 176.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -55.66 -51.76 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.229 0.538 . . . . 0.0 110.121 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.6 t -59.22 -55.35 36.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.232 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.402 HG22 ' HA ' ' B' ' 58' ' ' ARG . 11.3 t . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.704 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.218 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.336 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.43 -39.04 89.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.569 0.699 . . . . 0.0 109.786 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 24.9 tp -60.58 -51.3 70.01 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -70.04 -36.91 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.081 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.58 90.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -70.95 -40.79 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.879 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.62 -43.11 89.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -53.19 -53.56 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -55.51 -53.14 60.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.749 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.0 mm? -62.71 -37.94 88.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.01 -47.38 80.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.62 80.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -62.23 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.378 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.24 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 m -63.86 -38.93 92.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.934 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.2 82.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.038 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.7 mm? -81.99 -28.98 32.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.318 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -43.66 97.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -75.2 -26.27 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.755 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.94 -49.34 58.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 109.864 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 HD11 ' B' ' 33' ' ' LEU . 66.1 tp -64.01 -42.76 97.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.436 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -59.42 -39.33 83.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.69 -44.09 67.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.59 -32.24 67.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.06 66.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 -44.26 12.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.289 0.566 . . . . 0.0 109.517 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -88.86 66.75 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.839 0.828 . . . . 0.0 109.642 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.873 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.4 mt -87.32 171.18 10.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.0 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.873 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 12.4 Cg_exo -2.3 120.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 124.822 3.681 . . . . 0.0 115.323 -136.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 167.82 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.393 -2.64 . . . . 0.0 106.499 -176.568 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.83 31.72 2.79 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 114.119 -1.401 . . . . 0.0 111.279 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.605 ' HD1' ' HA ' ' A' ' 34' ' ' PRO . 60.5 p-90 -63.72 -13.89 47.47 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.039 0.536 . . . . 0.0 112.35 -176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 62.5 t30 -68.18 -20.95 64.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.376 0.608 . . . . 0.0 109.853 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -97.02 4.83 51.28 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.189 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.537 HG13 ' HA ' ' A' ' 37' ' ' TRP . 47.3 mt -57.84 -44.86 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.4 tpp -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.903 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 25.6 tt0 -61.47 -55.35 32.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.286 0.565 . . . . 0.0 110.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.555 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 40.7 t -61.06 -39.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.149 -177.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -59.9 -47.06 87.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.042 0.448 . . . . 0.0 110.493 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.61 -50.61 72.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.582 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 43' ' ' VAL . 54.8 mtmt -56.51 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 m -65.17 -43.93 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.4 t80 -68.95 -41.62 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.731 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.55 -49.57 74.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.39 68.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.509 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -66.56 -33.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.766 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HA ' ' CH2' ' B' ' 37' ' ' TRP . 50.4 ttt85 -62.95 -50.6 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.313 175.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 53.9 tp60 -63.9 -35.65 81.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.382 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.66 -50.25 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.12 -40.0 93.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.75 -37.53 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.901 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 10.3 t80 -70.67 -35.66 72.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.351 0.596 . . . . 0.0 109.982 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -69.48 -37.89 77.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -56.93 -47.84 79.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.69 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -68.6 -44.26 74.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.003 0.43 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 179.185 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.54 -55.88 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.93 -32.83 65.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 109.636 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -57.5 -44.17 84.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.108 177.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.59 -53.66 54.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.018 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.83 88.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.002 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.7 -44.2 64.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.032 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.85 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.73 -48.63 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.288 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -55.75 -54.38 45.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.398 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD13 ' B' ' 54' ' ' LEU . 4.3 mm? -63.95 -41.39 97.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.543 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.77 -46.01 92.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 109.971 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.06 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.2 -51.18 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.19 85.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -70.29 -39.62 74.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.363 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.42 87.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.11 -32.53 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 33' ' ' LEU . 86.0 tttt -61.63 -47.81 83.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.189 0.519 . . . . 0.0 110.373 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.55 -38.19 86.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.808 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.66 -40.23 76.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 33' ' ' LEU . 59.6 tp -62.68 -52.0 65.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.376 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -62.52 -36.2 81.82 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.076 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.9 -45.73 91.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.54 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -75.18 -26.67 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.816 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.92 -26.8 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.261 0.553 . . . . 0.0 109.725 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -107.35 26.7 9.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.184 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.2 mt -45.25 168.74 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 11.4 Cg_exo 0.69 122.72 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.691 0 C-N-CA 125.164 3.909 . . . . 0.0 115.804 -134.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m 167.06 -43.13 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 111.165 -2.743 . . . . 0.0 106.052 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.76 33.52 2.46 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.545 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 62.3 p-90 -65.1 -14.54 60.75 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.399 0.68 . . . . 0.0 112.281 -175.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 49.4 t30 -64.19 -23.85 67.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.314 0.578 . . . . 0.0 110.147 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -101.23 3.93 41.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.438 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 70.1 mt -53.21 -52.1 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.681 0.277 . . . . 0.0 111.306 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.485 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 53.2 ttm -63.62 -46.2 86.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.701 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.13 -50.23 73.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.43 -50.63 79.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.43 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.413 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.7 mt-10 -55.23 -55.57 29.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.881 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 11.9 mptt -68.04 -32.11 72.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 m -62.46 -45.86 91.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.434 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 54.5 t80 -66.69 -44.19 82.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 46.3 mt-10 -57.55 -47.05 83.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.049 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.43 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.399 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 23' ' ' LYS . 28.6 m-85 -66.33 -40.41 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.504 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.32 -51.16 70.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.449 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.67 -35.66 80.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' B' ' 15' ' ' LEU . 64.9 tp -61.93 -47.6 84.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.719 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 11.7 t70 -75.49 -32.98 60.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.505 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.86 -42.69 99.35 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.027 0.442 . . . . 0.0 109.901 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.53 -44.36 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.726 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.1 mmp_? -58.41 -44.24 88.94 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.228 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.0 mmtt -62.26 -51.06 69.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.259 0.552 . . . . 0.0 110.108 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -61.72 -44.48 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.787 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 179.602 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.712 0.291 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.08 -50.89 70.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.78 -38.39 88.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.997 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.5 -51.45 68.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -65.11 -43.1 93.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.915 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.64 83.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -72.33 -44.48 62.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.4 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -43.37 95.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.12 -49.66 77.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.639 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -54.53 -51.29 65.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.395 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -66.95 -37.04 83.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.026 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.47 -47.87 83.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.619 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.36 94.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.942 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.56 -47.87 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.726 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -61.97 -41.35 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.629 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.17 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -64.63 -28.1 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.312 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 66.5 tttm -59.68 -47.89 83.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -75.32 -24.57 57.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.4 -52.98 18.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 110.298 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.77 -36.98 84.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -52.65 -52.8 54.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.241 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -66.91 -35.34 79.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.745 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.59 -31.7 57.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.34 -39.57 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.58 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.5 pt-20 -72.32 -38.67 68.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 19.2 t70 -105.75 77.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.799 0.809 . . . . 0.0 110.433 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.001 HD12 ' HG3' ' B' ' 23' ' ' LYS . 8.2 mt -79.21 178.1 2.5 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.837 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 2.0 Cg_exo 6.53 122.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.885 1 C-N-CA 126.011 4.474 . . . . 0.0 115.939 -133.044 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 179.58 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.187 -2.733 . . . . 0.0 107.116 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.76 60.56 0.66 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 111.397 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.501 ' HE3' ' HA ' ' A' ' 34' ' ' PRO . 12.6 p90 -63.48 -20.67 65.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 111.402 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 7.3 t30 -70.4 -31.27 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.098 0.475 . . . . 0.0 109.922 176.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.027 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.5 mt -51.76 -50.28 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.476 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.8 ttm -65.36 -40.35 93.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.079 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 46' ' ' LYS . 26.5 tt0 -62.24 -57.2 12.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.52 -44.08 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.69 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.38 -46.59 88.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.295 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.27 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 0.0 110.474 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 42' ' ' GLU . 44.1 mtpt -62.45 -35.92 80.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.916 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.42 ' O ' ' HD1' ' A' ' 51' ' ' TYR . 87.1 m -66.7 -49.59 65.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 60.3 t80 -60.82 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.975 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.43 -34.39 76.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.332 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.52 67.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 47' ' ' THR . 50.0 m-85 -66.3 -32.73 74.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -58.06 -56.54 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.652 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -63.46 -37.37 87.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.228 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.26 -51.97 65.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 36.4 t70 -70.68 -30.82 67.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.275 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.17 -53.16 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.74 -37.58 87.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HA ' HG22 ' A' ' 61' ' ' THR . 46.5 ttt85 -70.56 -40.48 73.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.719 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -51.89 -53.85 36.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.362 0.601 . . . . 0.0 110.78 176.283 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -56.03 -55.54 31.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.302 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 58' ' ' ARG . 11.3 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.736 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.223 -0.324 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.17 -48.56 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 109.968 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.24 -37.29 83.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.477 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.47 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 84.8 mt -63.94 -46.22 85.69 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 12.2 mptt -66.44 -38.61 87.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.85 88.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.502 . . . . 0.0 110.645 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -68.44 -45.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.909 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.7 -42.65 99.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.538 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -58.52 -47.2 84.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 110.561 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -58.61 -47.58 83.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.487 HD21 ' OE1' ' B' ' 53' ' ' GLN . 9.5 mp -66.83 -41.37 87.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.87 -47.68 84.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.848 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.32 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.323 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -72.9 -46.04 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 110.491 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.203 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 64.8 m -65.68 -37.51 86.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.929 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.42 -49.52 73.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.82 -36.59 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 1.001 ' HG3' HD12 ' A' ' 33' ' ' LEU . 84.4 tttt -55.79 -55.11 36.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.292 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 22.6 ptm -72.53 -32.24 65.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.46 -43.92 79.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.159 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.82 -43.51 83.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -53.84 -52.61 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.663 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.13 -35.06 79.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.702 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.45 -43.54 66.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.56 -22.41 66.69 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.24 0.543 . . . . 0.0 111.205 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.36 29.72 7.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.638 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' HA ' ' B' ' 30' ' ' ALA . 6.2 mt -40.41 176.68 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.676 ' HA ' ' HB3' ' B' ' 37' ' ' TRP . 0.2 OUTLIER 20.19 -91.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.685 0 C-N-CA 123.646 2.898 . . . . 0.0 113.633 -126.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 32.01 -83.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -167.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 34' ' ' PRO . . . -111.37 47.85 1.0 Allowed Glycine 0 C--N 1.333 0.412 0 N-CA-C 112.276 -0.33 . . . . 0.0 112.276 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.676 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 27.7 p90 -60.99 -21.08 63.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.415 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 66.8 t30 -65.86 -23.44 66.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 0.0 110.27 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -94.43 1.63 55.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.008 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' B' ' 37' ' ' TRP . 62.2 mt -56.01 -44.39 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.27 -38.2 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.75 -54.97 38.76 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.045 0.45 . . . . 0.0 110.303 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.9 t -56.69 -49.26 78.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.477 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.53 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.21 -50.45 73.6 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.193 0.521 . . . . 0.0 110.797 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.325 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -69.28 -46.44 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.365 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 74.8 t80 -61.11 -48.31 82.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.58 -47.26 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.422 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.563 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -73.01 -33.72 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.42 -50.91 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' B' ' 15' ' ' LEU . 0.0 OUTLIER -65.41 -34.11 77.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.607 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.4 -50.7 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.665 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 31.8 t70 -63.75 -38.03 89.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.799 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.45 ' OE1' ' HD3' ' B' ' 59' ' ' LYS . 5.5 mm-40 -69.8 -43.66 71.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.014 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.47 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 66.4 t80 -68.25 -33.44 74.39 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.65 -50.61 71.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.568 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 1.6 ptmm? -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.41 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 30.9 m -61.63 -50.86 70.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.294 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 -177.422 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.71 0.291 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.03 -45.32 77.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.267 0.556 . . . . 0.0 110.118 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.81 -31.97 71.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.934 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.15 -43.62 98.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.163 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.67 -40.63 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.361 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.44 87.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.777 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.69 -49.61 75.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -57.69 -43.61 85.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.725 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -57.07 -48.41 78.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.479 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -54.81 -49.99 69.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.969 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.563 ' HB3' ' HG ' ' A' ' 54' ' ' LEU . 4.0 mm? -68.26 -42.28 79.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.54 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.83 -51.45 69.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.73 97.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.55 -49.84 71.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.27 93.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -72.9 -40.22 65.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.599 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.65 91.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 111.123 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.4 mm? -67.86 -26.64 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.791 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -61.32 -55.65 29.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -67.02 -31.52 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.53 -39.93 85.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.037 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' VAL . 63.3 tp -72.72 -43.55 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.868 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 37.2 t-80 -58.85 -44.82 91.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.44 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 0.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.9 tp -78.19 -37.94 44.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.911 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.79 62.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.523 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 57.7 mt-10 -75.35 -45.57 38.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.724 0.297 . . . . 0.0 110.654 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.38 80.19 2.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.741 0.781 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.71 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -68.96 -179.72 0.58 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 113.965 -1.47 . . . . 0.0 113.675 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.28 -84.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.586 0 C-N-CA 124.492 3.462 . . . . 0.0 113.961 -130.208 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m 24.83 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.42 43.43 1.72 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.056 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.487 ' HA ' HG13 ' A' ' 40' ' ' ILE . 49.2 p-90 -54.6 -24.72 22.45 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.882 0.873 . . . . 0.0 112.42 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 21.0 t-20 -63.04 -25.43 68.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.461 . . . . 0.0 110.587 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 39' ' ' ARG . 43.8 ttt-85 -93.9 -3.22 52.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.378 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG13 ' HA ' ' A' ' 37' ' ' TRP . 62.3 mt -55.64 -43.17 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.526 -177.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -44.71 84.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.82 -58.63 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.857 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 26' ' ' LEU . 9.9 t -56.8 -44.29 81.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.129 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.04 84.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.731 0.3 . . . . 0.0 111.067 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.2 -49.22 78.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.033 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -67.24 -37.62 83.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.412 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 84.8 m -63.52 -46.73 84.69 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -53.95 52.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.828 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 23.2 mm-40 -58.57 -36.84 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.68 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.77 65.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.767 0.317 . . . . 0.0 111.07 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -72.52 -33.53 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.828 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 8.9 ptm180 -66.57 -41.94 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.094 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -69.08 -40.37 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.568 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -59.15 -45.46 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.328 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -67.01 -43.18 83.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.669 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.61 -43.78 97.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.349 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -59.96 -47.77 84.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -60.61 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m -64.57 -43.14 94.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.202 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.389 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.86 -56.52 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.738 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.34 -29.56 65.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.308 0.575 . . . . 0.0 110.185 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.04 -38.41 85.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.739 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -76.07 -32.59 59.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.65 96.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.203 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -62.43 -46.43 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.151 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.186 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.32 -48.04 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -52.95 -46.92 68.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.027 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.82 -43.12 76.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -61.1 -47.61 85.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.27 97.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.5 -48.34 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.498 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.081 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.86 -37.83 82.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.71 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' B' ' 22' ' ' LEU . 4.2 mm? -68.43 -31.07 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 86.6 tttt -54.19 -51.27 64.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.751 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 49.4 ttm -75.17 -37.69 61.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.668 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.45 -44.49 90.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.96 -45.92 76.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.793 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 36.4 t-80 -64.11 -41.44 97.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.718 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.13 -41.44 88.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.536 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.88 -38.54 79.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.976 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.12 83.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 40.2 mm-40 -73.19 -22.51 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -113.32 26.15 10.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.7 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.866 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.0 mt -42.48 168.65 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.866 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.6 Cg_exo -0.32 122.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.697 0 C-N-CA 125.108 3.872 . . . . 0.0 115.81 -135.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.715 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 11.0 m 169.79 -60.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 111.505 -2.588 . . . . 0.0 107.24 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.73 26.49 5.66 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.809 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.715 ' HD1' ' H ' ' B' ' 35' ' ' THR . 25.1 p-90 -64.32 -10.94 27.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.088 0.555 . . . . 0.0 111.908 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.93 -13.62 61.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.281 0.563 . . . . 0.0 110.085 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.404 ' O ' HG23 ' B' ' 43' ' ' VAL . 31.4 ttt180 -103.73 2.05 32.51 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 tt -60.97 -35.88 68.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 97.0 mmm -64.76 -51.81 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.648 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' B' ' 45' ' ' GLU . 29.5 tt0 -57.16 -45.94 83.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.338 0.589 . . . . 0.0 110.878 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 39' ' ' ARG . 48.8 t -60.85 -44.96 98.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.451 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.06 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.07 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 41' ' ' MET . 57.5 mt-10 -53.99 -57.74 9.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.724 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -40.34 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.349 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.4 m -60.53 -50.43 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.46 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 30.6 t80 -61.66 -48.4 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 33.6 mt-10 -59.35 -44.91 92.61 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.32 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.67 93.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -66.4 -38.84 88.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 110.332 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -58.35 -53.2 61.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.582 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 93.5 mt-30 -61.84 -38.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.183 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.48 -49.97 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.5 -43.25 94.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.4 -42.44 99.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.696 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.34 -43.89 96.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.87 0.366 . . . . 0.0 110.014 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.7 mmp_? -61.56 -47.89 83.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.185 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.13 -44.17 97.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.414 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -68.99 -44.91 71.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.242 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -177.841 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -66.72 -46.77 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.121 0.486 . . . . 0.0 110.368 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.32 -40.16 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.016 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 2.1 tt -58.41 -52.23 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.449 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -64.57 -45.7 85.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.084 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.18 97.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.734 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.1 tpmt? -69.5 -47.02 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.5 tp -57.72 -46.36 84.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.093 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.17 -50.39 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -63.51 -47.09 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.112 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.555 ' CD2' ' HE2' ' A' ' 11' ' ' LYS . 3.9 mm? -66.72 -41.19 88.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.423 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -60.09 -45.83 91.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.234 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.71 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.794 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -59.13 -52.17 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -64.07 -41.73 97.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.754 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.69 92.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -37.1 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.77 -38.97 76.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.737 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -75.08 -46.35 35.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.001 0.429 . . . . 0.0 110.52 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.08 -47.62 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.239 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.71 -41.96 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -62.42 -37.46 85.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.407 . . . . 0.0 110.555 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.97 -37.73 61.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.029 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.501 HD22 HG21 ' A' ' 43' ' ' VAL . 49.1 tp -69.33 -39.45 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 110.461 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -25.66 68.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.745 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.13 -40.5 59.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.085 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.25 33.39 0.98 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.334 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.03 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.5 mt -53.44 175.08 0.14 Allowed Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.931 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 1.03 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.66 20.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.353 1 C-N-CA 126.127 4.551 . . . . 0.0 117.983 -146.131 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -129.21 146.48 51.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 162.565 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.5 14.36 27.44 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.812 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' HB2' ' HD2' ' B' ' 51' ' ' TYR . 35.8 p90 -54.06 -24.98 19.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.15 0.58 . . . . 0.0 112.541 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.83 -21.19 66.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -103.74 3.5 34.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.615 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' HA ' ' A' ' 37' ' ' TRP . 74.9 mt -58.69 -45.88 90.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.895 0.379 . . . . 0.0 110.486 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -48.49 79.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.0 tt0 -58.49 -56.08 26.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 HD22 ' A' ' 29' ' ' LEU . 62.1 t -61.51 -41.73 91.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.64 98.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 110.614 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.26 -49.3 78.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.315 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.4 mtmt -64.02 -37.92 89.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.441 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -67.89 -45.28 74.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 0.0 110.545 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 86.1 t80 -60.41 -46.58 89.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.756 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 17.6 tp10 -61.11 -39.06 88.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.757 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.34 -54.27 42.92 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.761 176.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -63.35 -40.8 98.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.756 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 5.6 ptm180 -64.22 -42.37 96.6 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 19.4 tp60 -72.07 -33.76 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.428 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 15' ' ' LEU . 2.0 mp -54.48 -51.98 63.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.963 0.411 . . . . 0.0 110.657 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.61 -44.26 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.674 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 30.0 mt-10 -62.1 -38.0 87.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.87 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 82.2 t80 -70.1 -41.81 73.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -64.66 -46.46 82.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.625 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 8.9 ptmt -67.53 -29.39 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.065 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -79.88 -56.54 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.042 0.448 . . . . 0.0 110.626 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.469 HG21 ' HG ' ' A' ' 8' ' ' LEU . 32.3 m . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.44 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.22 -44.52 62.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -57.87 -43.46 86.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.91 -47.27 81.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.843 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.64 -49.4 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.76 92.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.03 -43.32 71.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -65.37 -38.43 90.01 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.799 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -57.91 -44.4 86.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -61.69 -52.22 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.628 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.04 -46.24 90.17 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.523 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.76 -44.45 90.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.876 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.97 90.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.5 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 26.8 tt0 -60.44 -44.55 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.497 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.08 85.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.33 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 47.3 m -63.53 -38.96 93.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.731 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.37 94.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 94.0 mt -66.04 -42.13 89.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.483 ' HG2' HD13 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -55.63 -43.02 75.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.016 0.436 . . . . 0.0 109.997 176.565 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt -68.18 -47.41 68.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.03 -39.79 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.507 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.2 -44.92 93.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 0.0 110.3 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.23 -33.4 73.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.65 -42.39 86.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 tp -68.87 -33.68 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -26.75 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.695 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.27 -22.43 28.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.418 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.76 23.55 6.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.981 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.993 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.2 mt -51.8 173.61 0.13 Allowed Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.993 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 17.91 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.638 1 C-N-CA 127.169 5.246 . . . . 0.0 119.068 -148.534 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 33' ' ' LEU . 2.0 p -129.19 132.56 47.31 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 160.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.62 18.18 69.78 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.556 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -57.29 -21.65 36.24 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.181 0.491 . . . . 0.0 111.738 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -63.58 -22.99 67.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -77.74 -18.22 56.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.351 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.93 -48.08 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' B' ' 41' ' ' MET . 9.3 mmt -60.12 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 111.404 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -67.74 -54.93 15.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.155 0.503 . . . . 0.0 110.427 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.3 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.268 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.17 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.46 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -72.37 -31.46 65.6 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.994 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' B' ' 46' ' ' LYS . 7.7 tppt? -64.22 -49.17 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.841 175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.42 ' HA ' HD13 ' B' ' 22' ' ' LEU . 56.6 m -62.55 -44.62 95.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.339 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.93 -50.1 74.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.121 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -49.49 76.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 0.0 110.566 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.78 98.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.692 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' TYR . . . . . 0.525 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 13.2 m-30 -69.02 -44.16 73.29 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.04 -51.69 65.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 110.685 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.61 -29.6 70.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.359 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.97 -46.12 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.717 0.294 . . . . 0.0 110.212 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.98 -43.17 93.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.084 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.94 -35.47 81.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 61' ' ' THR . 78.5 t80 -63.37 -45.05 92.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -47.19 84.79 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -56.03 -49.95 72.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.123 0.487 . . . . 0.0 111.035 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -63.48 -51.24 66.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.071 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 57' ' ' PHE . 11.1 t . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.772 -173.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.836 0.35 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -65.11 -48.5 73.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.425 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.3 mp0 -62.18 -40.77 97.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.135 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.559 HD11 HG23 ' A' ' 61' ' ' THR . 2.2 tt -60.72 -47.72 85.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.145 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -61.92 -45.48 93.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.976 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.96 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.844 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HE3' ' OE1' ' A' ' 53' ' ' GLN . 1.1 tmtm? -68.17 -49.08 63.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.809 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.14 -39.95 94.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -58.02 -50.61 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.14 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 1.3 tppp? -58.21 -47.05 84.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.142 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 54' ' ' LEU . 78.7 mt -61.51 -46.6 89.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.581 0.229 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.03 -48.57 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 109.931 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.22 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.44 -45.69 91.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.496 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.43 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -72.3 -40.57 67.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.65 90.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.945 0.402 . . . . 0.0 110.71 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt -69.01 -31.85 70.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.753 ' HG2' HD13 ' B' ' 33' ' ' LEU . 13.9 tmtt? -63.17 -49.85 72.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -70.65 -28.02 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.744 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.99 -41.07 64.69 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 33' ' ' LEU . 58.2 tp -63.48 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.514 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.49 -43.16 86.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.89 -39.28 88.69 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 40' ' ' ILE . 51.7 tp -60.06 -44.56 94.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.288 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.3 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.12 -22.64 48.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.503 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.45 40.21 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.547 0.689 . . . . 0.0 110.772 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.907 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.0 mt -60.45 167.91 2.8 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.547 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 1.3 Cg_exo 3.69 133.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.376 1 C-N-CA 126.578 4.852 . . . . 0.0 116.745 -148.237 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.618 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 63.1 m 97.62 -16.8 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 113.481 -1.691 . . . . 0.0 109.452 -163.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.08 11.45 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.665 171.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.618 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.5 p-90 -65.14 -27.93 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -79.35 -19.13 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.375 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 29' ' ' LEU . 8.6 ttm180 -74.03 -19.01 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.843 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.631 ' HA ' HD21 ' A' ' 29' ' ' LEU . 79.7 mt -55.88 -49.88 72.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.436 -174.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.511 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.7 mmt -60.87 -42.98 98.95 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 35.5 tt0 -62.52 -55.67 25.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.06 -49.17 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.99 87.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.995 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -66.09 -53.65 35.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -62.7 -40.41 97.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.713 -177.152 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 40.0 m -67.09 -47.0 72.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 111.179 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.5 t80 -63.27 -43.48 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.348 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.73 -36.51 84.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.11 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.76 87.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.821 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -63.8 -40.19 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -66.28 -47.05 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.861 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.51 ' OE1' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.06 -35.39 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.9 tp -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 0.0 110.377 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 31.6 t70 -68.45 -44.07 75.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.61 -48.86 71.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.453 0.701 . . . . 0.0 111.224 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -66.39 -34.67 78.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -33.51 75.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.989 177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mmtt -69.77 -43.16 72.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 109.921 175.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -60.63 -45.6 93.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.119 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.559 HG23 HD11 ' A' ' 8' ' ' LEU . 54.4 m . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.785 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.94 -53.24 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.446 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -63.68 -37.32 86.9 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.278 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.81 -51.66 68.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.672 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.0 93.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.261 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -75.8 -43.73 44.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.818 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.24 -44.04 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.981 0.419 . . . . 0.0 110.024 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -61.47 -38.85 88.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.772 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.84 -46.85 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.662 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -41.37 96.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.13 -47.65 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.111 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.49 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.03 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.38 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' B' ' 23' ' ' LYS . 51.2 m -73.32 -39.61 65.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.343 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.79 75.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.687 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.2 mm? -68.13 -28.2 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.648 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' B' ' 20' ' ' THR . 11.2 pttp -69.47 -32.66 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 20' ' ' THR . 65.7 mtt -69.43 -43.44 73.38 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -47.24 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.662 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.21 -50.17 69.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 t60 -58.5 -43.66 89.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.05 -38.74 63.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.023 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' B' ' 36' ' ' GLY . 38.6 tp -66.27 -37.21 84.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -25.97 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.059 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.22 -22.34 30.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.139 0.495 . . . . 0.0 109.896 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -102.82 24.38 10.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.835 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.983 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -46.89 173.84 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 113.962 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.983 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.23 20.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.49 1 C-N-CA 126.163 4.575 . . . . 0.0 117.977 -145.884 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.55 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -128.98 134.84 48.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 159.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' B' ' 29' ' ' LEU . . . 73.01 10.37 77.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.555 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.405 ' HA ' HG13 ' B' ' 40' ' ' ILE . 33.8 p90 -54.68 -29.52 53.09 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.018 0.527 . . . . 0.0 112.306 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.2 t-20 -74.96 -18.46 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 110.371 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -102.01 3.09 38.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' B' ' 37' ' ' TRP . 59.1 mt -56.39 -50.76 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.956 -177.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.65 -34.98 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 33.0 tt0 -59.29 -55.02 40.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.903 0.383 . . . . 0.0 110.928 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.28 -51.85 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.52 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.451 ' HB1' HG22 ' A' ' 40' ' ' ILE . . . -54.74 -39.35 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.653 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 42' ' ' GLU . 17.8 mt-10 -50.94 -61.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.364 175.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 13.1 mptt -71.43 -33.72 69.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.92 -172.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -63.21 -48.39 78.52 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -67.48 -49.25 64.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.686 0.279 . . . . 0.0 110.998 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' B' ' 52' ' ' ARG . 30.7 mm-40 -59.8 -35.28 74.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.588 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.68 68.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.38 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.38 -45.15 95.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.48 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' B' ' 49' ' ' GLU . 2.1 ptm180 -64.59 -41.8 96.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.857 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -72.35 -35.19 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.539 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -49.95 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.6 t70 -67.82 -39.71 83.89 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.817 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -58.69 -48.72 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 111.068 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -63.83 -39.17 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -59.18 -49.68 76.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 25.9 mttm -60.15 -46.45 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.314 0.578 . . . . 0.0 110.48 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -59.17 -56.64 19.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.718 -173.382 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.57 -44.7 64.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.2 0.524 . . . . 0.0 110.267 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -66.02 -34.84 79.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.423 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.441 HD12 ' HZ ' ' A' ' 57' ' ' PHE . 13.1 tp -63.64 -48.55 76.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.68 174.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.98 -47.01 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.729 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.95 86.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.119 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -65.72 -51.58 58.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.93 -42.0 83.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.469 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.78 -50.46 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -60.79 -42.55 97.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.186 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.17 -44.59 79.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -61.07 -44.36 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.216 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.32 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.904 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.91 -46.03 92.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.618 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.05 88.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.54 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 24' ' ' MET . 50.9 m -67.77 -38.24 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.14 92.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.58 -37.48 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.0 -39.7 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.178 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.3 mmt -63.27 -48.89 76.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.963 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.3 -38.79 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.109 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.78 -39.18 90.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -63.86 -37.35 87.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.78 -44.82 84.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 40' ' ' ILE . 58.2 tp -61.4 -30.17 70.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.12 87.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 110.43 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -85.25 -23.17 28.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.631 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 14.3 t70 -94.41 15.9 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.316 -175.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.2 mt -58.94 169.63 1.06 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.348 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 14.83 21.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 126.672 4.914 . . . . 0.0 118.68 -151.532 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 33' ' ' LEU . 14.8 m -113.15 -48.44 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.971 0.415 . . . . 0.0 109.946 169.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.68 40.28 2.58 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.224 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.451 ' HA ' HG13 ' A' ' 40' ' ' ILE . 37.7 p90 -51.53 -25.42 6.66 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -62.59 -18.82 62.91 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 111.052 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -91.51 -13.8 31.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HA ' HD21 ' A' ' 29' ' ' LEU . 63.7 mt -53.25 -52.31 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -171.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.2 ttm -77.3 -34.85 55.42 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.545 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.74 -58.41 6.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.155 0.503 . . . . 0.0 110.641 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.88 -39.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.67 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.39 -46.73 87.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.01 178.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.81 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 7.1 ttmm -66.25 -39.85 89.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.861 -176.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 m -66.68 -41.76 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.989 0.423 . . . . 0.0 110.272 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -57.03 -52.91 63.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.237 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.08 -46.99 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.758 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.07 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' B' ' 34' ' ' PRO . 32.5 m-85 -73.0 -35.38 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -64.8 -50.83 65.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.407 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.63 -39.51 91.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.418 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.61 -45.09 92.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.067 0.46 . . . . 0.0 110.913 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 t70 -71.39 -46.54 60.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.39 -36.63 80.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.354 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 8' ' ' LEU . 72.1 t80 -59.58 -41.82 91.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.538 174.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.32 -41.79 84.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.242 178.34 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.2 mmtt -60.34 -52.21 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.468 . . . . 0.0 110.098 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 t -59.99 -45.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.567 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 m . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.268 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.994 0.426 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.51 -54.88 41.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.019 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.63 -34.29 77.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 26.4 tp -65.72 -44.17 86.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.442 0.639 . . . . 0.0 110.003 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -71.12 -33.11 69.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.847 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.55 96.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.21 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.91 -49.3 78.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.662 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.53 -42.05 82.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.84 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -55.53 -49.97 71.23 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -55.68 -51.07 68.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.239 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.28 -49.77 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.314 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -56.25 -53.51 56.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.36 95.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.518 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.83 -47.11 79.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.74 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.044 0.45 . . . . 0.0 111.19 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -65.36 -39.59 92.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.5 mm? -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.309 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.37 -31.33 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.379 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.35 -48.88 71.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.174 0.512 . . . . 0.0 109.954 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.99 -38.98 93.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.79 -42.14 97.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.49 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.35 -46.47 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.694 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.57 -34.08 70.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' B' ' 40' ' ' ILE . 60.8 tp -82.87 -49.86 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.283 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.66 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.75 -35.19 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.6 -22.02 61.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 110.297 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -114.61 25.6 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 1.028 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.5 mt -44.52 175.68 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.424 1.09 . . . . 0.0 113.285 175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 1.028 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.98 20.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.175 4.583 . . . . 0.0 117.937 -145.41 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -129.39 145.03 51.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 161.017 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.87 11.91 58.83 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.281 -0.485 . . . . 0.0 113.768 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.642 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.5 p90 -56.5 -24.25 44.97 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -65.37 -21.2 66.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.808 0.337 . . . . 0.0 111.008 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -105.12 4.74 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.374 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' B' ' 37' ' ' TRP . 48.9 mt -54.48 -46.42 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.586 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.4 -37.29 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.735 -176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.79 -56.45 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.0 0.428 . . . . 0.0 110.567 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.95 -44.64 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.23 78.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.492 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 44.8 tt0 -56.84 -59.29 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.263 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -33.97 76.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.32 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -63.08 -43.75 97.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.237 0.541 . . . . 0.0 110.227 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.3 -44.98 74.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 47.9 mt-10 -55.67 -50.8 69.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.164 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -47.6 69.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.613 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.3 m-85 -67.7 -31.98 72.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -59.96 -55.06 38.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.97 174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.43 -32.91 74.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.659 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.62 -42.05 98.22 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.2 -40.89 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.651 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.02 -43.09 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 0.0 110.177 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.26 -43.67 97.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.145 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.43 -46.86 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -58.91 -46.56 87.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.827 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.0 t -69.92 -44.18 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.092 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -175.594 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.585 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.55 -56.49 19.46 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.39 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.08 -38.56 91.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.316 0.579 . . . . 0.0 109.527 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 1.7 mm? -54.93 -45.83 74.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.994 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.0 tppt? -66.52 -50.35 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.18 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.027 0.441 . . . . 0.0 110.996 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -74.97 -42.53 57.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.647 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.56 -39.97 92.28 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.19 -51.83 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.46 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 85.1 mt -63.72 -40.49 96.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.945 -175.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.81 -44.03 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.675 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.6 86.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -57.62 -54.47 46.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.629 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.39 90.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.675 -178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -61.2 -43.46 98.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.151 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.16 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.062 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.33 -33.19 75.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.438 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -58.98 -51.56 69.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.709 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.3 mtm -67.75 -38.61 83.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.941 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.23 -43.21 78.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.19 -37.94 78.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -55.25 -54.15 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.729 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.44 -25.72 63.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.13 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 40' ' ' ILE . 62.0 tp -63.92 -40.77 97.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.155 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.27 -27.04 61.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.45 -25.52 60.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.589 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.97 53.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.003 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.872 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -60.59 169.89 1.63 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.422 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.872 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 11.6 Cg_exo -4.69 122.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 125.195 3.93 . . . . 0.0 116.169 -137.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 m 174.86 -53.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.175 -2.739 . . . . 0.0 106.143 174.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.39 27.16 6.42 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.904 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' HA ' HG13 ' A' ' 40' ' ' ILE . 67.8 p-90 -56.58 -30.06 62.76 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.36 -28.23 67.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.468 0.651 . . . . 0.0 109.982 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HE ' ' CD ' ' A' ' 42' ' ' GLU . 11.2 ttm180 -89.51 -3.45 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.724 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.5 mt -54.0 -44.24 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.7 tpp -61.24 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' CD ' ' HE ' ' A' ' 39' ' ' ARG . 28.6 tt0 -73.7 -50.45 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.17 -48.52 85.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.969 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.42 -50.97 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.891 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.79 -49.45 77.61 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.841 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.51 HG22 ' CE2' ' A' ' 51' ' ' TYR . 11.7 m -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.132 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 43.6 t80 -68.49 -42.11 79.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.693 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.31 -39.96 80.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.952 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.15 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CE2' HG22 ' A' ' 47' ' ' THR . 24.8 m-85 -62.94 -36.61 84.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.493 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -63.56 -48.77 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.231 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -53.27 -48.63 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.15 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 8.2 mp -58.98 -48.92 79.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 111.104 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.17 -44.75 87.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.067 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.69 -40.48 95.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.309 0.576 . . . . 0.0 110.592 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 21.4 t80 -65.14 -40.23 94.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.988 177.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -65.44 -43.27 90.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.97 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -58.33 -49.35 77.49 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.099 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 p -68.46 -43.53 76.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 57' ' ' PHE . 15.2 t . . . . . 0 C--N 1.323 -0.56 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.034 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.35 -51.79 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.638 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.31 -38.68 84.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.86 -51.86 64.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.925 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -66.65 -41.59 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.733 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.24 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.324 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.04 -45.03 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.59 -41.85 91.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.134 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -57.73 -51.13 70.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.754 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' B' ' 14' ' ' LYS . 0.9 OUTLIER -58.61 -46.64 86.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.449 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.1 mm? -68.38 -39.65 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -64.88 -44.55 89.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.84 -57.47 11.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.229 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -35.71 70.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.441 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -66.3 -33.58 76.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.28 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.27 -26.02 67.14 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.64 -45.51 81.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -71.14 -42.3 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.416 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -44.14 84.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.8 tp -77.62 -47.35 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -61.67 -39.17 90.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.22 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.7 -39.79 95.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.176 0.512 . . . . 0.0 110.348 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.69 -36.78 70.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.819 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -64.35 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.473 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.35 -34.67 55.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.852 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -104.35 26.49 8.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.18 0.514 . . . . 0.0 110.59 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.3 mt -43.43 174.34 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.066 0.947 . . . . 0.0 113.45 175.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.83 19.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 1 C-N-CA 126.657 4.905 . . . . 0.0 118.597 -144.947 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -128.05 133.67 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 160.416 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.95 9.58 71.29 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.191 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.525 ' HA ' HG13 ' B' ' 40' ' ' ILE . 70.7 p-90 -58.09 -21.02 44.29 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 61.2 t30 -61.63 -25.49 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.324 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.406 ' O ' HG23 ' B' ' 43' ' ' VAL . 58.6 mtp180 -92.77 0.07 57.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.05 -175.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.525 HG13 ' HA ' ' B' ' 37' ' ' TRP . 51.1 mt -54.83 -49.27 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.497 0.189 . . . . 0.0 111.396 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 38.0 ttm -68.29 -35.27 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.918 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' B' ' 46' ' ' LYS . 26.8 tt0 -62.14 -53.15 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.297 0.57 . . . . 0.0 110.414 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.54 HG11 ' HA ' ' B' ' 26' ' ' LEU . 57.7 t -63.89 -38.29 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.827 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.38 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.521 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.69 84.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' B' ' 42' ' ' GLU . 65.9 mttt -60.17 -49.79 76.25 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 m -60.57 -49.51 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.21 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.28 -49.24 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.266 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.99 -46.39 90.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.39 -51.98 66.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.72 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -69.44 -37.01 77.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.404 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -64.82 -50.82 65.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.509 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -59.19 -39.91 84.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.627 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 40.7 tp -58.62 -49.93 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.037 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.38 -39.93 92.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -60.85 -42.66 98.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.064 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.1 mtp180 -64.34 -39.24 93.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.37 -38.53 81.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 33.8 t -63.28 -54.43 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.496 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.474 HG22 ' HA ' ' B' ' 58' ' ' ARG . 11.0 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.562 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.45 -46.47 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.547 0.689 . . . . 0.0 110.236 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.54 -37.84 83.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.922 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.22 -37.21 80.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.606 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.38 -51.9 60.96 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.335 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.29 84.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.772 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -62.74 -53.52 53.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.61 177.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.23 -34.6 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.712 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.29 -47.82 84.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.954 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -64.42 -48.44 75.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 88.2 mt -60.41 -36.14 77.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.679 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.99 -43.26 99.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.928 0.395 . . . . 0.0 110.31 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.89 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.337 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -58.25 -51.71 68.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.572 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.46 74.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.533 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -75.02 -46.91 31.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.16 91.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.21 -38.37 90.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.006 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HG3' HD13 ' B' ' 33' ' ' LEU . 84.3 tttt -59.11 -45.44 90.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.999 0.428 . . . . 0.0 110.462 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.5 mtp -66.3 -48.05 71.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.853 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.9 -43.89 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD23 HD11 ' B' ' 33' ' ' LEU . 67.3 tp -61.0 -48.43 81.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.756 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 5.7 t60 -62.32 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.38 -44.07 92.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 43' ' ' VAL . 58.9 tp -64.83 -37.09 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.671 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' B' ' 27' ' ' HIS . . . -65.99 -26.93 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.036 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 38.7 mm-40 -70.63 -35.55 72.98 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 176.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -112.5 65.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.774 0.797 . . . . 0.0 110.35 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.058 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.7 mt -70.9 176.24 2.14 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.593 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 1.058 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 18.14 19.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.553 1 C-N-CA 127.365 5.377 . . . . 0.0 119.309 -149.548 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -111.18 133.65 53.38 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 155.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.55 42.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.053 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 2.1 p90 -56.44 -22.59 33.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 111.3 178.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -71.55 -16.83 62.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.06 0.457 . . . . 0.0 111.035 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.5 ttt-85 -98.86 1.07 45.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.309 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' ' 37' ' ' TRP . 15.6 mt -51.75 -43.25 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.817 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.23 -44.1 96.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.546 0.212 . . . . 0.0 110.914 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -59.06 -51.37 70.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 29' ' ' LEU . 32.7 t -60.3 -46.1 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.756 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.08 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.16 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.175 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.18 -44.35 83.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.472 HG21 HD22 ' A' ' 26' ' ' LEU . 40.9 m -63.92 -46.81 83.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.991 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.041 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.8 -41.8 87.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.236 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -55.87 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.989 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -64.96 -28.88 69.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.611 0.243 . . . . 0.0 111.185 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -68.41 -48.6 64.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 110.354 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' OE1' HD21 ' A' ' 15' ' ' LEU . 29.0 tt0 -61.33 -36.17 79.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 5.7 mp -58.81 -43.74 90.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.454 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.622 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 32.2 t70 -72.28 -38.23 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.11 -40.56 77.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.316 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' O ' HG22 ' A' ' 61' ' ' THR . 92.3 t80 -61.28 -44.0 97.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.112 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.794 HH21 HG21 ' A' ' 61' ' ' THR . 0.5 OUTLIER -60.48 -44.1 96.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.313 179.437 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.622 ' HE2' ' OD2' ' A' ' 55' ' ' ASP . 67.9 mmtt -57.6 -46.65 83.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.383 0.611 . . . . 0.0 109.797 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -65.59 -54.75 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.686 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.794 HG21 HH21 ' A' ' 58' ' ' ARG . 7.5 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.77 -174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 120.581 0.229 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.66 -53.57 55.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.68 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -33.77 74.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.748 178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.46 -45.17 84.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.347 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.23 -52.53 58.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.419 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.56 78.02 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.435 0.459 . . . . 0.0 111.111 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -67.17 -52.56 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.98 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.85 -47.49 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.48 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -61.81 -44.45 96.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' B' ' 54' ' ' LEU . 82.1 mt -68.05 -42.76 80.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.492 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.85 -51.52 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.278 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.42 92.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.39 -50.79 71.43 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.38 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 111.584 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -68.89 -44.95 72.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.52 83.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.223 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -35.14 77.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.317 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -53.74 -53.33 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.932 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.27 -39.64 71.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.819 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.75 -35.64 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.68 -41.49 83.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.282 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 36.5 t-80 -62.27 -39.2 92.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.35 -42.4 98.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.639 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.26 -41.58 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.051 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -26.13 66.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 111.114 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 27' ' ' HIS . 40.5 mt-10 -78.5 -22.3 47.62 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.309 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -98.6 24.28 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.337 0.589 . . . . 0.0 111.14 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.878 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 15.6 mt -47.71 169.48 0.12 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.329 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.878 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 1.2 Cg_exo 5.8 127.25 0.0 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.824 1 C-N-CA 125.39 4.06 . . . . 0.0 115.915 -136.25 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.675 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 30.3 m 96.4 -14.44 0.08 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 111.88 -2.418 . . . . 0.0 109.51 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.72 47.14 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 170.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.675 ' HD1' ' H ' ' B' ' 35' ' ' THR . 37.3 p-90 -108.27 -27.06 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.69 -22.22 60.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.263 0.554 . . . . 0.0 110.553 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' B' ' 43' ' ' VAL . 23.9 tpp180 -82.07 -11.79 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.47 -52.53 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.171 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 53.5 ttm -65.36 -33.03 74.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.222 0.534 . . . . 0.0 110.894 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.05 -57.81 6.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.002 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' B' ' 39' ' ' ARG . 58.6 t -63.28 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.931 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.84 94.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.226 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.48 -50.35 74.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.287 0.565 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 46' ' ' LYS . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.901 -176.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 63.4 m -67.37 -43.33 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.514 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -63.88 -46.16 86.14 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.256 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -53.8 -47.58 70.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.38 46.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -37.26 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -67.66 -46.82 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.99 -33.79 74.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.928 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.585 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.8 mp -60.54 -50.92 71.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.395 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.94 -43.7 98.3 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.94 -47.93 81.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.423 ' O ' HG22 ' B' ' 61' ' ' THR . 81.9 t80 -60.29 -42.09 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.601 ' HE ' ' HA ' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -59.89 -42.46 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.436 -179.163 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.92 -36.84 48.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 38.9 m -64.63 -43.48 93.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.738 0.304 . . . . 0.0 110.808 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.423 HG22 ' O ' ' B' ' 57' ' ' PHE . 13.7 t . . . . . 0 C--N 1.327 -0.374 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.76 -50.38 43.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 0.0 110.415 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 19.0 tt0 -63.09 -39.5 94.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.2 mp -58.16 -35.25 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.602 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.13 -47.76 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.303 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.99 85.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.163 0.506 . . . . 0.0 110.623 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 4.7 tmtp? -65.26 -46.78 79.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.06 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.69 -39.89 94.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.126 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 1.7 tpmt? -54.06 -44.48 71.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.094 0.473 . . . . 0.0 110.83 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -62.6 -54.16 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.961 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HD3' ' A' ' 11' ' ' LYS . 4.6 mm? -67.85 -32.0 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.802 -176.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.12 -46.97 86.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.217 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.72 89.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.327 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.96 -48.99 79.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.166 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.006 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.8 m -65.24 -34.28 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.023 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -53.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.701 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -33.13 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.8 -43.1 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.649 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 10.2 mmt -75.65 -46.42 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.659 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -58.21 -47.46 83.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.883 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 47' ' ' THR . 56.1 tp -66.73 -49.21 66.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.913 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.9 -37.69 87.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.949 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.06 -32.52 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.872 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 40' ' ' ILE . 54.0 tp -74.48 -37.75 63.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.227 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.76 61.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.294 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.65 -45.69 71.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.622 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -112.36 83.8 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.552 0.692 . . . . 0.0 110.099 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.86 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -85.05 173.01 7.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.232 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.86 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 9.0 Cg_exo 0.46 121.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 125.188 3.926 . . . . 0.0 115.737 -135.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.432 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 5.5 m 170.39 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 111.322 -2.672 . . . . 0.0 106.303 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.48 32.81 2.76 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.659 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.3 p-90 -62.09 -24.73 67.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 12.1 t30 -67.39 -21.47 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.264 0.554 . . . . 0.0 110.511 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 49.2 ttt-85 -96.94 2.77 52.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.694 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' B' ' 26' ' ' LEU . 11.6 tt -61.68 -39.95 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.1 mtp -71.63 -38.97 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.99 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.15 -52.95 63.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.78 -45.31 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.696 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -61.0 -46.71 89.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.5 -50.99 71.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.49 -44.83 93.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.334 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.534 HG21 HD22 ' A' ' 26' ' ' LEU . 62.9 m -61.44 -45.45 94.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.239 . . . . 0.0 110.752 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HA ' ' B' ' 38' ' ' ASN . 28.1 t80 -60.84 -51.97 67.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.323 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.782 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 26.6 mm-40 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.082 -178.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.66 48.14 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.537 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.77 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.005 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.782 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.05 -38.78 86.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.558 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 53.2 tt0 -71.27 -34.37 70.64 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.565 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.1 -49.88 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.368 . . . . 0.0 110.376 173.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.75 -42.17 95.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 20.1 mm-40 -55.15 -53.66 53.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.68 -43.34 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.462 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.2 mmp_? -67.34 -43.23 82.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.518 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.4 -41.82 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.816 -174.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.436 ' OG1' HD21 ' A' ' 8' ' ' LEU . 1.3 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.2 -53.78 13.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.577 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.99 -39.55 78.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.675 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.14 -48.54 81.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.818 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.75 -42.32 86.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.0 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.695 ' HA ' ' HE3' ' B' ' 11' ' ' LYS . 0.4 OUTLIER -66.05 -48.61 70.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 177.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.58 -43.05 84.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.827 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.89 -49.0 76.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.314 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.31 -45.52 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.855 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.22 -37.76 69.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.844 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -59.17 -52.07 67.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.103 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.73 83.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.174 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.9 -49.78 55.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.21 87.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.826 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -67.14 -35.78 80.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.291 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.45 78.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.465 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.411 HD12 HG13 ' B' ' 43' ' ' VAL . 3.7 mm? -73.47 -27.8 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -49.78 76.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.801 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 13.6 tpt -75.79 -27.65 58.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.036 0.446 . . . . 0.0 110.589 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.09 -47.69 83.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.556 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 40' ' ' ILE . 50.7 tp -62.82 -40.43 97.39 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.568 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.19 -40.38 85.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.34 -43.08 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.77 -35.12 76.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.61 62.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.772 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.55 -29.79 63.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.479 0.656 . . . . 0.0 109.914 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.99 27.28 6.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.444 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.808 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 8.9 mt -41.47 167.98 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 14.7 Cg_exo -1.17 122.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.576 0 C-N-CA 124.876 3.717 . . . . 0.0 115.255 -132.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 34' ' ' PRO . 3.1 p -179.78 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 111.756 -2.475 . . . . 0.0 106.825 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.85 39.08 2.42 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.634 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.737 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.8 p90 -54.93 -22.71 15.88 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.092 0.557 . . . . 0.0 111.963 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.659 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 8.6 t30 -58.27 -30.5 66.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.636 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.441 ' O ' HG23 ' B' ' 43' ' ' VAL . 74.2 mtp180 -97.96 4.43 49.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.661 -175.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.737 HG13 ' HA ' ' B' ' 37' ' ' TRP . 27.7 mt -56.23 -50.2 72.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.213 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.552 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 20.2 ptm -69.27 -25.49 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.486 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 31.6 tt0 -63.55 -54.11 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.194 0.521 . . . . 0.0 109.749 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 39' ' ' ARG . 15.2 t -60.63 -44.72 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.843 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.62 93.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.43 -54.15 50.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.345 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.486 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.6 mtmt -57.99 -42.05 84.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.3 m -65.05 -53.45 45.61 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.469 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 75.4 t80 -59.49 -44.45 93.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.652 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.692 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.9 tm-20 -67.18 -41.3 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.71 98.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -74.68 -29.85 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.614 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -72.48 -39.71 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.005 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -70.81 -31.02 67.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.041 0.448 . . . . 0.0 109.868 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 31.2 tp -57.94 -42.61 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.083 175.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.85 -39.55 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 27.4 mm-40 -54.91 -47.75 73.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 176.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.4 mtp180 -65.56 -41.69 92.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.178 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -70.68 -41.24 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.108 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -60.73 -50.64 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.289 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.326 -0.436 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.394 -177.479 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.89 0.376 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.9 -42.9 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mp0 -61.29 -37.5 83.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.425 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.13 -39.21 91.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.426 0.29 . . . . 0.0 110.959 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -62.18 -50.29 72.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.35 . . . . 0.0 110.427 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.03 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' HE1' ' A' ' 57' ' ' PHE . 72.0 tttt -70.99 -48.33 53.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.32 -39.59 94.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.263 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.73 -46.19 91.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.274 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 1.2 tpmt? -57.88 -49.03 78.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.699 178.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.0 -43.77 91.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.031 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.57 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.78 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -64.41 -44.76 90.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.83 99.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.96 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -66.56 -42.91 86.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.86 91.61 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.75 -39.39 84.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.827 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -56.74 -50.09 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.65 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.1 mtp -66.92 -39.14 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.74 -45.69 88.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.62 -43.32 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 19.3 t-160 -60.78 -37.83 83.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.33 -36.5 61.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.594 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 43' ' ' VAL . 41.5 tp -64.18 -29.8 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.88 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.229 0.537 . . . . 0.0 110.83 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -84.55 -21.95 30.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.31 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.98 32.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.891 0.853 . . . . 0.0 110.102 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.979 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.8 mt -57.44 169.0 0.84 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.215 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.979 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 11.55 20.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.301 1 C-N-CA 127.287 5.325 . . . . 0.0 119.115 -151.083 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 33' ' ' LEU . 21.5 m -107.36 -59.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.055 0.455 . . . . 0.0 109.954 172.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.42 28.7 11.15 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.41 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.656 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.0 p-90 -63.51 -22.45 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 111.422 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -67.44 -20.95 65.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.402 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -104.34 5.27 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.99 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.656 HG13 ' HA ' ' A' ' 37' ' ' TRP . 23.5 mt -56.79 -46.04 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 tpp -57.28 -46.01 83.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.257 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.1 tt0 -62.15 -55.94 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG21 HD22 ' A' ' 29' ' ' LEU . 44.7 t -58.74 -45.17 91.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.916 -177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.438 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 33.4 tt0 -58.59 -51.26 70.66 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.272 0.358 . . . . 0.0 110.491 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 53.2 mtmt -59.61 -47.05 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.431 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' CE2' ' A' ' 51' ' ' TYR . 27.1 m -61.87 -43.32 99.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -65.2 -44.56 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.636 0.255 . . . . 0.0 110.539 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.99 -36.09 78.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -45.07 87.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.993 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CE2' HG22 ' A' ' 47' ' ' THR . 21.3 m-85 -61.94 -42.24 98.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.874 0.369 . . . . 0.0 110.033 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -56.78 -55.46 33.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.643 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.78 -30.63 71.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.567 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.91 -44.2 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 25.4 t70 -69.41 -35.03 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.692 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 59' ' ' LYS . 31.0 mt-10 -72.92 -22.75 60.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.867 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HE1' ' HD3' ' A' ' 11' ' ' LYS . 70.3 t80 -71.12 -40.48 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 170.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 3.9 mmp_? -56.09 -46.65 78.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.394 171.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 12.1 tmtt? -61.48 -38.08 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.32 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -66.63 -41.96 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -174.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.988 0.423 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.52 -50.55 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.314 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.2 -39.03 91.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.53 -48.44 74.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.76 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.79 -51.64 67.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.217 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.68 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 36.5 ttmt -72.99 -45.52 57.46 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.706 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -54.49 -45.2 73.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 110.119 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.7 -48.55 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.528 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.65 -47.4 84.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.153 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 82.8 mt -64.57 -43.17 94.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -60.49 -44.86 95.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.005 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.82 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.757 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.5 -46.99 85.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.78 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.0 m -74.56 -36.59 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.6 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.88 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.944 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.415 HD12 HG13 ' B' ' 43' ' ' VAL . 4.1 mm? -63.92 -39.49 94.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 33' ' ' LEU . 85.1 tttt -57.64 -42.05 82.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.738 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 90.1 mtp -69.8 -52.95 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.058 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.6 -33.45 75.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.472 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.61 -36.55 78.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -65.82 -45.38 82.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -61.13 -43.56 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' B' ' 40' ' ' ILE . 52.5 tp -63.42 -44.18 95.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.453 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 27' ' ' HIS . . . -68.72 -30.75 69.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.88 -176.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.81 -34.23 21.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.374 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.77 26.39 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.143 0.497 . . . . 0.0 110.602 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.999 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -42.05 174.45 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.675 1.19 . . . . 0.0 113.941 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.999 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.62 20.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.299 1 C-N-CA 126.302 4.668 . . . . 0.0 118.445 -145.595 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -125.33 134.69 52.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 159.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 15.07 66.35 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.594 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.419 ' HA ' HG13 ' B' ' 40' ' ' ILE . 29.2 p90 -57.0 -21.12 28.17 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -63.48 -22.11 66.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.01 0.433 . . . . 0.0 110.961 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -92.86 -2.62 55.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.005 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.542 ' HA ' HD21 ' B' ' 29' ' ' LEU . 66.3 mt -57.05 -48.53 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 93.1 mmm -68.38 -37.47 80.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.079 -178.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.559 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 13.0 tt0 -65.31 -54.34 30.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.415 HG13 HD12 ' B' ' 22' ' ' LEU . 87.9 t -59.88 -48.21 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.602 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.25 -45.14 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.839 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 49' ' ' GLU . 16.3 tm-20 -59.23 -54.82 42.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.1 mtmt -65.5 -37.1 85.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -64.35 -46.07 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.327 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.617 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 84.4 t80 -61.15 -48.8 79.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.316 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 45' ' ' GLU . 15.3 mm-40 -62.16 -42.59 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.955 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.13 65.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.465 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.65 -28.68 67.92 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.541 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' B' ' 48' ' ' TYR . 32.9 mtm105 -61.49 -58.15 9.31 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.951 0.881 . . . . 0.0 109.737 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.71 -37.17 83.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.211 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.03 -45.75 91.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 0.0 110.843 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 24.3 t70 -66.38 -42.96 87.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.67 -34.69 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.3 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.88 -34.76 73.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -65.95 -37.06 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 74.7 mmtt -59.41 -46.53 88.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.36 0.6 . . . . 0.0 109.869 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -61.86 -45.2 94.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.241 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 48.0 m . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.1 179.416 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.114 0 CA-C-O 121.393 0.616 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.02 -48.12 54.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.309 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.45 -39.88 92.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.861 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 3.0 tt -57.26 -51.74 68.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.42 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -58.57 -51.48 69.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.965 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.32 88.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.276 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 ttmt -74.33 -49.34 23.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.736 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.44 -39.07 89.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -60.26 -42.76 96.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 110.078 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.4 -44.73 70.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.764 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 74.9 mt -66.31 -41.92 88.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.93 -43.12 99.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.48 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.33 97.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.29 -47.72 83.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.32 90.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -62.63 -39.32 93.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.64 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.64 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.09 -33.84 74.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.434 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -57.77 -47.01 83.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.624 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtt -75.18 -35.34 61.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.836 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.61 -51.45 69.77 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.175 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HA ' HG11 ' A' ' 43' ' ' VAL . 61.4 tp -65.68 -44.54 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -61.74 -34.09 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.7 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.5 -49.42 75.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.097 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.21 -36.7 58.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.081 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.97 62.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.314 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.34 -37.81 74.74 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.0 90.36 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.462 0.649 . . . . 0.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.719 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 4.9 mt -67.28 -179.83 0.48 Allowed Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HA ' ' HB3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER 17.33 -86.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.699 0 C-N-CA 124.296 3.331 . . . . 0.0 114.281 -130.213 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.9 m 35.88 -87.69 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -166.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.85 42.66 1.91 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.752 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 50.1 p-90 -51.17 -27.5 8.84 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.002 0.921 . . . . 0.0 112.544 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 11.9 t30 -64.82 -20.94 66.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.862 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 ttt180 -101.11 -0.41 36.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.438 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.71 HG13 ' HA ' ' A' ' 37' ' ' TRP . 46.4 mt -53.75 -44.04 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.694 0.283 . . . . 0.0 111.405 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.4 tpp -56.79 -47.38 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.426 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 32.2 tt0 -62.51 -54.31 41.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.189 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 26' ' ' LEU . 25.5 t -55.42 -49.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.441 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.33 92.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.453 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -48.33 82.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 52.9 mtmt -60.08 -43.38 95.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -62.16 -47.88 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.9 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.5 -53.02 62.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.676 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.66 96.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.49 -39.18 74.34 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.524 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 45.1 ttt180 -66.62 -49.47 66.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.926 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -55.35 -38.87 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.228 0.33 . . . . 0.0 111.218 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -47.55 84.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.74 -42.31 97.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.755 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 12.1 mm-40 -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.598 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 67.7 t80 -62.49 -40.31 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.223 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.4 mmp_? -61.21 -46.88 88.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.244 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -64.24 -52.61 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.312 -174.751 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.228 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.52 -55.55 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.93 -33.41 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.544 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.673 ' HG ' ' HZ ' ' B' ' 57' ' ' PHE . 6.6 mp -62.15 -37.93 87.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.494 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.4 -49.75 74.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.202 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -67.67 -51.26 51.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.96 -38.01 89.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.604 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.24 -42.83 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.92 0.391 . . . . 0.0 110.35 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -65.39 -42.16 92.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.362 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.0 -40.83 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 110.483 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.9 -48.54 81.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.671 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.91 98.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -59.54 -51.84 68.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.349 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -60.5 -31.08 70.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.465 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -74.97 -41.24 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.757 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.42 93.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.78 -34.13 77.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.928 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 19.7 ttpp -60.86 -42.12 97.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.097 0.475 . . . . 0.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -71.56 -41.52 68.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.42 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.49 -46.72 72.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.333 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -70.77 -34.24 71.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.863 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.35 -37.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.94 -28.44 65.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.511 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.69 -31.25 72.36 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -81.9 -33.11 30.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.642 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -89.16 20.88 3.45 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.888 0.851 . . . . 0.0 110.241 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.97 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 9.7 mt -57.06 169.05 0.73 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.036 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.97 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 13.17 20.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.33 1 C-N-CA 127.339 5.359 . . . . 0.0 118.881 -152.282 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.8 m -103.16 -54.75 2.55 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 166.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.18 35.39 5.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.776 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.604 ' HA ' HG13 ' B' ' 40' ' ' ILE . 6.9 p-90 -60.76 -18.87 57.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.9 -17.56 64.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.379 0.609 . . . . 0.0 110.792 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.604 ' HG3' HG23 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -97.7 -12.74 22.01 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.493 -174.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' B' ' 37' ' ' TRP . 83.0 mt -52.96 -53.92 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.3 mtp -68.65 -39.37 80.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.77 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.94 -44.79 79.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.894 0.378 . . . . 0.0 110.598 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' B' ' 39' ' ' ARG . 85.9 t -61.89 -52.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.01 78.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.379 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 38.6 tt0 -60.79 -57.04 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -60.2 -35.75 76.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.102 -178.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 61.7 m -61.77 -47.17 86.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 28.4 t80 -65.38 -44.67 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 55.2 mt-10 -57.75 -47.74 81.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.21 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.562 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' TYR . . . . . 0.457 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 14.3 m-85 -65.51 -38.59 90.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -61.72 -55.45 30.22 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.586 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.32 -36.51 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.085 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.65 -44.85 95.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.697 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' B' ' 58' ' ' ARG . 33.6 t70 -74.25 -30.85 62.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.51 -51.53 68.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.801 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.673 ' HZ ' ' HG ' ' B' ' 8' ' ' LEU . 71.0 t80 -62.39 -38.17 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.283 0.563 . . . . 0.0 109.637 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' B' ' 55' ' ' ASP . 58.2 ttt180 -56.07 -49.89 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.766 176.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -63.32 -42.16 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -61.97 -47.12 86.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.547 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -50.96 68.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.19 -42.76 96.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.633 0.73 . . . . 0.0 109.48 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.8 mp -60.03 -47.85 84.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.802 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -66.83 -43.31 84.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.033 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.682 ' O ' ' HG2' ' A' ' 14' ' ' LYS . . . -67.44 -44.78 77.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.358 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' HG2' HD23 ' A' ' 15' ' ' LEU . 48.5 tttp -70.87 -38.45 73.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.71 -45.59 89.22 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.14 -44.98 92.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.996 0.427 . . . . 0.0 110.488 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.2 mmmm -57.69 -51.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.549 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.9 mm? -63.37 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.554 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.5 -46.39 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.463 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.29 96.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.974 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.85 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.378 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.02 91.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.079 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -64.88 -38.89 92.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.789 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.69 -37.24 70.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' B' ' 33' ' ' LEU . 60.1 tttm -55.38 -48.65 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.3 ptm -75.2 -30.23 60.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -70.12 -44.82 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.938 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 47' ' ' THR . 54.2 tp -57.67 -43.09 84.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.272 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 21.8 t-80 -63.9 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.324 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.14 -35.15 66.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.73 -38.75 87.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.311 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -67.26 -28.53 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.811 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 44.5 mt-10 -79.19 -42.04 26.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -89.02 29.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 110.594 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.991 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.9 mt -53.44 177.13 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.705 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 22.79 20.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.456 4.771 . . . . 0.0 118.475 -146.249 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.498 ' H ' ' C ' ' A' ' 33' ' ' LEU . 2.2 m -132.52 147.77 52.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.98 14.81 64.0 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.899 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -54.34 -29.2 47.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.061 0.431 . . . . 0.0 112.03 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.27 -28.18 67.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.055 0.455 . . . . 0.0 110.749 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 43' ' ' VAL . 29.9 ttt180 -85.6 -10.18 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.17 -41.22 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.662 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.562 ' HE1' ' HA ' ' B' ' 45' ' ' GLU . 2.2 mmt -64.13 -50.99 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.379 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.4 tt0 -60.3 -47.24 86.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.193 0.52 . . . . 0.0 110.69 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG2' ' A' ' 39' ' ' ARG . 87.7 t -60.51 -53.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.481 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.79 78.07 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.6 -56.68 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.578 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 50.3 mtmt -62.38 -37.22 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.541 HG21 HD22 ' A' ' 26' ' ' LEU . 85.4 m -59.55 -47.55 85.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.592 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' HA ' ' HE1' ' B' ' 37' ' ' TRP . 78.8 t80 -72.94 -48.56 35.82 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.017 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -62.73 -39.15 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -174.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.6 68.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.711 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.11 -30.35 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.24 0.543 . . . . 0.0 110.033 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.07 -46.4 61.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.61 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.39 -30.67 71.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 4.9 mp -53.5 -46.4 70.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.55 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.4 -34.14 63.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.925 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.874 0.369 . . . . 0.0 110.193 174.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 8' ' ' LEU . 87.7 t80 -59.24 -45.98 89.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.76 174.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 60.7 mtp85 -63.31 -35.07 79.14 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.683 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -58.7 -46.42 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -67.43 -59.95 2.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.856 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.898 -173.388 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.222 -0.387 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.8 -55.71 17.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.468 0.652 . . . . 0.0 110.501 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.58 -33.67 74.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.586 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 5' ' ' ALA . 76.1 mt -65.34 -40.4 93.61 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.454 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 5.7 mmtp -68.74 -35.07 76.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.36 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.511 . . . . 0.0 109.828 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -60.99 -50.01 75.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.94 -42.18 84.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.42 -43.83 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 110.273 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.23 -42.79 91.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.384 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.91 -42.5 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.636 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -60.8 -46.06 91.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.5 96.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.4 -45.48 94.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.126 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.89 98.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.717 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -61.44 -41.33 97.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.489 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.33 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.771 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.53 -29.75 70.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.14 -52.5 64.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.607 0.242 . . . . 0.0 110.528 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.1 ptm -72.95 -29.23 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.68 -52.89 54.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.139 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.39 -39.5 89.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.466 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 32.1 t-80 -53.85 -54.1 43.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' B' ' 31' ' ' GLU . 0.6 OUTLIER -73.97 -26.21 60.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.503 -176.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.498 HD22 HG21 ' B' ' 43' ' ' VAL . 50.1 tp -63.24 -47.44 82.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.187 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.09 -25.6 62.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.747 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.405 ' HB3' ' HA ' ' B' ' 28' ' ' ASP . 18.7 tp10 -76.34 -26.42 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.435 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -102.71 28.27 6.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.736 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.814 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.7 mt -41.89 168.5 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 18.9 Cg_exo -2.66 122.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 124.804 3.669 . . . . 0.0 115.02 -132.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m 156.43 -52.67 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 111.926 -2.397 . . . . 0.0 107.7 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.49 28.06 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.13 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.758 ' HE3' ' HD3' ' B' ' 34' ' ' PRO . 4.1 t-105 -59.19 -29.15 67.26 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.267 0.556 . . . . 0.0 109.986 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 63.7 t30 -64.28 -27.21 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.466 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' B' ' 43' ' ' VAL . 60.1 ttt180 -94.38 2.35 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -47.66 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.681 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 48.4 ttm -62.59 -44.61 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.818 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.686 ' HG2' ' HD3' ' B' ' 46' ' ' LYS . 10.4 tt0 -58.76 -59.2 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.498 HG21 HD22 ' B' ' 29' ' ' LEU . 93.4 t -56.25 -41.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.827 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.35 92.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.165 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.562 ' HA ' ' HE1' ' A' ' 41' ' ' MET . 33.7 mt-10 -60.82 -45.24 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.686 ' HD3' ' HG2' ' B' ' 42' ' ' GLU . 39.0 mtpt -62.85 -40.33 97.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.363 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.9 m -65.89 -48.82 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.732 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.573 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.25 -44.53 83.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.298 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 54' ' ' LEU . . . -64.8 -41.5 95.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -73.87 -30.89 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.75 -52.11 67.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.959 0.409 . . . . 0.0 109.939 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -65.67 -38.11 88.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 50' ' ' ALA . 0.4 OUTLIER -60.16 -51.25 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 -178.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 33.3 t70 -72.83 -34.93 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.632 0.254 . . . . 0.0 110.828 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.58 -47.07 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 110.615 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.14 -38.29 87.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.445 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.467 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 36.3 ttt180 -58.2 -44.56 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.067 178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.3 mmtt -62.85 -48.4 79.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.169 0.509 . . . . 0.0 110.1 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.2 t -60.87 -56.87 16.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.519 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.55 -52.55 63.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.12 -38.97 90.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.77 -49.95 75.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.881 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.23 -47.89 84.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.72 94.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -65.59 -52.62 50.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.764 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 57' ' ' PHE . 64.2 tp -60.5 -39.38 87.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.481 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -59.58 -47.93 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.532 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.9 -44.46 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.382 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.81 -47.95 81.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.881 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.0 -44.47 95.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.284 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.995 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 28.4 m -64.96 -32.92 74.87 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.57 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 33' ' ' LEU . 55.3 tttp -55.09 -52.46 63.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -75.21 -30.52 60.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.134 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -43.25 76.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.545 0.212 . . . . 0.0 110.938 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.43 -40.15 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' B' ' 31' ' ' GLU . 30.1 t-80 -57.86 -47.01 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.034 177.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.72 -34.73 76.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 40' ' ' ILE . 50.2 tp -64.48 -49.75 70.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.68 -25.25 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.953 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.99 -28.14 63.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.337 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.66 25.81 5.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -46.96 173.95 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.953 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.55 19.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 1 C-N-CA 126.037 4.491 . . . . 0.0 117.878 -141.742 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.555 ' H ' ' C ' ' A' ' 33' ' ' LEU . 1.4 m -137.68 151.44 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 163.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.88 12.78 37.23 Favored Glycine 0 C--N 1.319 -0.4 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.919 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HE1' ' HA ' ' B' ' 48' ' ' TYR . 3.7 t-105 -57.4 -31.9 66.3 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.265 0.555 . . . . 0.0 110.137 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 52.2 t30 -60.23 -31.05 69.81 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.173 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -82.41 -9.0 59.62 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.514 ' HA ' HD21 ' A' ' 29' ' ' LEU . 35.9 mt -53.99 -49.34 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.102 0.251 . . . . 0.0 111.507 -177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.11 -27.87 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.48 -60.43 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.601 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -41.41 84.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.23 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.52 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.212 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.557 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 38.1 tt0 -63.47 -46.94 83.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.197 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -61.46 -45.12 95.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.52 -51.89 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.624 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.42 -41.05 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.895 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 54' ' ' LEU . . . -64.02 -49.75 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.241 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -69.21 -34.53 75.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.045 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -60.2 -55.46 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.89 -30.83 71.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.266 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 6.5 tt -62.54 -51.05 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 1.017 ' HA ' ' HG2' ' A' ' 58' ' ' ARG . 23.0 t70 -69.8 -33.96 73.07 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.847 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.21 -28.73 67.51 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.927 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.4 ' HD2' HD13 ' A' ' 12' ' ' LEU . 28.3 t80 -77.36 -40.08 45.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 1.017 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 2.1 ptm180 -71.23 -32.12 68.4 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -59.73 -43.77 94.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.024 0.44 . . . . 0.0 110.09 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 t -61.0 -51.97 66.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.089 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 58' ' ' ARG . 7.3 t . . . . . 0 C--N 1.324 -0.524 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.693 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' B' ' 8' ' ' LEU . . . . . . . . 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.13 -44.04 85.39 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.23 0.538 . . . . 0.0 110.447 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.07 -37.92 81.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.024 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' B' ' 5' ' ' ALA . 61.0 mt -59.16 -48.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.569 176.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.27 -49.83 76.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.05 71.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -66.76 -53.46 32.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 55.5 tp -61.68 -40.83 96.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 110.148 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -48.29 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -65.02 -39.93 94.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.01 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.89 -41.13 91.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -58.72 -48.69 80.3 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.038 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.44 90.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.012 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.81 -47.73 83.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.41 81.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -39.27 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.872 0.367 . . . . 0.0 110.978 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.68 90.03 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.542 ' HB3' ' OG1' ' B' ' 47' ' ' THR . 4.3 mm? -72.62 -34.8 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.617 ' HG3' HD13 ' A' ' 33' ' ' LEU . 78.5 tttt -53.24 -53.59 48.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.426 178.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptm -69.58 -31.86 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.388 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -69.09 -43.96 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.737 0.303 . . . . 0.0 110.406 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.09 -40.17 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.498 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 23.2 t-160 -61.29 -39.69 91.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.181 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.14 -49.33 36.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.191 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.1 -33.77 71.23 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.677 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.9 tt0 -86.03 -35.53 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.116 0.484 . . . . 0.0 110.201 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.73 25.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.934 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 13.2 mt -49.74 169.38 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.698 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.9 Cg_exo -1.33 121.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 124.785 3.657 . . . . 0.0 115.36 -134.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.3 m 168.38 -51.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.227 -2.715 . . . . 0.0 105.435 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.02 36.2 2.25 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.636 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' TRP . . . . . 0.549 ' HA ' HG13 ' B' ' 40' ' ' ILE . 64.9 p-90 -64.84 -20.72 66.55 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -67.03 -17.84 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.35 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.545 ' HG2' HG23 ' B' ' 43' ' ' VAL . 28.3 ttt180 -97.36 -4.34 38.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.254 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' B' ' 37' ' ' TRP . 73.4 mt -54.99 -51.98 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.557 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 97.8 mmm -66.96 -42.73 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.346 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' B' ' 39' ' ' ARG . 72.0 t -57.58 -52.57 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.05 68.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.092 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.95 -51.88 67.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.904 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.45 -42.89 78.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.641 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.66 HG22 ' CZ2' ' A' ' 37' ' ' TRP . 17.3 m -63.97 -45.85 87.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.791 ' HA ' ' HE1' ' A' ' 37' ' ' TRP . 44.2 t80 -65.02 -44.75 88.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -49.66 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.553 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.82 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -67.8 -34.14 76.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 52' ' ' ARG . 10.0 mmt85 -62.58 -56.6 16.37 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.25 -34.98 74.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.63 -49.99 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.37 -43.24 96.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 48.9 t80 -67.36 -36.09 80.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.045 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -65.81 -44.77 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 110.107 172.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.7 m -60.67 -54.16 48.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.495 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.41 -175.063 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 121.094 0.473 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -160.29 141.25 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.689 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.92 140.92 47.11 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.89 172.56 49.98 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.687 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.74 78.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -65.1 -48.78 72.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.477 . . . . 0.0 110.167 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.552 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.2 -51.56 69.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.783 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -62.37 -48.7 78.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.023 0.439 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.9 tttt -68.12 -47.69 67.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.464 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 tp -61.48 -42.01 98.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.455 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.61 -45.55 93.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.447 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -56.89 -47.61 80.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.661 175.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 85.2 mt -66.05 -39.54 90.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.377 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.14 -50.23 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.052 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.26 -50.7 70.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.74 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.462 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -64.66 -45.49 86.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.775 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.88 79.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 0.0 111.115 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 46' ' ' LYS . 90.1 mt -63.82 -41.68 97.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.788 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HG2' HD13 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -62.83 -39.02 93.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -72.36 -40.5 67.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.556 0.217 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 -33.16 72.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.39 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.94 -40.37 96.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.342 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -58.93 -38.73 79.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.409 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.64 -38.26 59.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.88 -32.26 73.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -29.81 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.61 -21.64 28.36 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.334 0.588 . . . . 0.0 110.312 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.55 29.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.903 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.933 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.1 mt -56.02 167.86 0.79 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.732 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.933 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 10.77 20.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.489 1 C-N-CA 127.41 5.407 . . . . 0.0 119.136 -153.176 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 33' ' ' LEU . 6.3 m -103.6 -55.86 2.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 167.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 28.85 13.2 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.524 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HA ' HG13 ' A' ' 40' ' ' ILE . 9.3 p-90 -60.2 -25.21 65.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.83 -14.95 60.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 110.137 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 33.8 ttt180 -105.87 1.82 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.316 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.613 HG13 ' HA ' ' A' ' 37' ' ' TRP . 77.5 mt -54.07 -51.63 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.93 -24.91 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.54 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 32.9 tt0 -62.29 -62.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.13 0.491 . . . . 0.0 110.354 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.85 -32.13 56.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.626 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.65 84.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.08 -50.18 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.216 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -59.4 -45.03 92.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.637 -175.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.8 m -63.77 -44.35 93.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.15 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.57 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.6 tm-20 -65.96 -41.28 91.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.671 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.18 95.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.72 0.295 . . . . 0.0 111.167 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.43 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 24.3 m-85 -74.77 -29.15 61.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -71.41 -39.42 71.13 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.194 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.39 -34.73 74.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.038 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 58.1 tp -60.1 -43.85 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.734 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.24 -40.08 86.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.576 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 24.4 mm-40 -57.91 -37.18 73.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -67.85 -44.15 77.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.276 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 24.8 mtm180 -61.32 -44.18 97.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.463 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 17.4 ptmt -70.02 -32.83 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.892 0.377 . . . . 0.0 110.989 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 m -75.75 -42.08 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -71.42 -26.88 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.274 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.738 ' HA ' ' HB3' ' A' ' 67' ' ' HIS . . . -62.05 -50.46 71.89 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.422 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 t -63.6 -31.65 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.435 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -71.29 -48.39 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.379 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 67' ' ' HIS . 41.2 mt-10 -73.43 -13.97 61.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.195 -177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 67.22 27.25 8.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -165.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 2.9 t-160 -78.51 96.39 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.698 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -121.28 -2.77 9.52 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.012 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -133.44 169.11 17.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 111.193 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -100.77 -177.48 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.957 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.668 176.294 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -153.33 132.52 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.342 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -93.84 128.77 40.29 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.011 0.91 . . . . 0.0 111.297 -174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.409 ' O ' HD13 ' B' ' 8' ' ' LEU . . . -122.71 113.93 2.31 Favored Glycine 0 C--N 1.315 -0.629 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.059 174.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.45 64.0 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -170.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -73.5 -47.42 41.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.673 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.13 -31.94 66.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.409 HD13 ' O ' ' B' ' 4' ' ' GLY . 6.6 mp -64.86 -38.89 92.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.199 173.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -65.4 -40.13 93.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.378 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.26 96.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.385 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -50.73 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.02 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 65.0 tp -60.68 -41.62 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.717 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.57 -49.27 76.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -62.09 -36.09 80.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.865 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.62 -41.68 68.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.17 -51.58 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.375 . . . . 0.0 110.17 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 27.3 tt0 -67.58 -50.75 56.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.21 89.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.88 -42.35 97.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.84 92.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 78.4 mt -69.94 -31.14 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -66.48 -47.36 73.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.83 -33.66 72.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.98 -45.99 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.17 -43.29 98.66 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.62 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 66.4 t60 -59.46 -44.59 92.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.484 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -43.09 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.045 177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' B' ' 40' ' ' ILE . 45.2 tp -66.18 -34.56 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.86 95.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 6.6 pt-20 -86.38 -21.48 27.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.195 0.521 . . . . 0.0 111.443 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -83.52 18.09 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.0 mt -48.88 173.38 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.45 19.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.388 1 C-N-CA 126.349 4.699 . . . . 0.0 117.945 -144.583 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 33' ' ' LEU . 5.4 m -130.47 154.54 47.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 159.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.37 9.47 17.15 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.815 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 24.8 p90 -55.75 -25.9 43.04 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.11 0.455 . . . . 0.0 111.614 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -72.05 -16.06 62.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.473 ' HG2' HG23 ' B' ' 43' ' ' VAL . 45.3 ttt180 -107.78 3.08 24.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.533 -176.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 61.7 mt -56.79 -51.59 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.1 ttm -66.21 -35.75 81.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE3' ' B' ' 46' ' ' LYS . 34.2 tt0 -60.86 -60.05 4.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.821 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' B' ' 39' ' ' ARG . 48.9 t -61.33 -43.52 96.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.112 -177.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.67 80.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.315 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.28 -43.12 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.26 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HG2' ' B' ' 42' ' ' GLU . 96.3 mttt -56.73 -50.08 73.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 9.6 m -63.83 -41.9 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.052 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -65.25 -46.82 79.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.872 0.368 . . . . 0.0 110.649 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.5 tp10 -61.5 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . -61.09 -47.15 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -61.81 -42.86 99.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 1.1 ppt_? -66.06 -33.11 75.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.1 -34.35 59.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.581 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 50' ' ' ALA . 73.9 mt -62.39 -49.57 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.095 0.474 . . . . 0.0 109.818 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' B' ' 59' ' ' LYS . 20.2 t70 -59.81 -43.04 94.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.324 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.2 -54.72 39.71 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.508 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 91.7 t80 -59.94 -39.9 87.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.228 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -61.72 -38.36 87.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.168 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 55' ' ' ASP . 0.9 OUTLIER -73.88 -42.85 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 177.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m -64.51 -48.5 74.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.679 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t -64.51 -30.22 71.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.968 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 66' ' ' HIS . . . -71.8 -41.13 68.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.91 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.131 0.491 . . . . 0.0 110.462 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.4 mm? -76.78 -46.51 24.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.821 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -71.75 -11.14 60.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.629 . . . . 0.0 110.818 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' B' ' 62' ' ' ALA . 9.6 t-160 -81.62 -2.32 49.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.888 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -108.53 -171.79 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 172.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -156.16 114.94 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.938 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -79.48 131.7 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.924 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -91.33 138.04 31.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.533 177.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -110.08 151.6 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.58 116.33 27.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.8 154.67 25.73 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.661 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.68 -19.65 65.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 111.812 -176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.53 -55.16 12.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 111.271 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.72 -29.76 67.22 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.542 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.3 -48.88 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -61.68 -44.33 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.41 98.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.245 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -73.7 -45.23 53.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.283 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.15 -42.76 86.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -53.32 -51.21 63.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.526 . . . . 0.0 110.66 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 13.2 tppt? -60.49 -49.5 77.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.256 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 54' ' ' LEU . 93.2 mt -65.82 -42.16 90.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.266 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.67 -45.22 93.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.82 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.859 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.94 -42.85 94.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.963 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.39 92.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.799 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -64.57 -37.01 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.29 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mm? -67.43 -31.67 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.255 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG2' HD13 ' B' ' 33' ' ' LEU . 12.8 tmtt? -56.78 -44.82 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 0.0 109.673 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 44.0 ttp -75.47 -42.42 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.274 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.51 -40.95 89.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.535 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.72 -38.42 90.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 25.8 t-80 -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.93 -41.7 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 111.247 -177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 43' ' ' VAL . 36.6 tp -74.05 -29.05 61.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 110.931 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 7.0 mm-40 -80.83 -45.41 16.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.096 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -90.49 49.3 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.808 0.813 . . . . 0.0 110.529 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.9 mt -67.37 171.17 5.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.431 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.858 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 29.0 Cg_exo -3.06 121.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.495 0 C-N-CA 125.001 3.801 . . . . 0.0 115.338 -136.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m 160.99 -51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.206 -2.725 . . . . 0.0 106.147 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.0 24.99 9.09 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.188 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.639 ' HA ' HG13 ' A' ' 40' ' ' ILE . 52.7 p-90 -58.39 -24.59 60.41 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.3 0.64 . . . . 0.0 112.128 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.87 -24.11 67.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.056 0.455 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -104.2 5.75 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.351 -174.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.639 HG13 ' HA ' ' A' ' 37' ' ' TRP . 64.6 mt -55.72 -51.12 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.236 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.0 tpp -56.0 -45.64 78.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.002 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.8 tt0 -56.97 -54.92 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG21 HD22 ' A' ' 29' ' ' LEU . 42.6 t -58.92 -44.83 91.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.713 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.937 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.74 -47.57 85.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 54.6 mtmt -66.47 -30.57 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.227 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.535 ' O ' ' HD2' ' A' ' 51' ' ' TYR . 61.0 m -68.32 -50.19 55.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.915 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 64.6 t80 -67.63 -37.77 82.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.179 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 9.6 pt-20 -58.34 -45.6 87.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.659 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -65.94 -47.03 76.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.566 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HD2' ' O ' ' A' ' 47' ' ' THR . 47.4 m-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 16.4 tpp180 -60.75 -55.24 35.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.689 175.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 12.9 mm-40 -59.34 -37.64 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.557 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 15' ' ' LEU . 65.6 tp -60.51 -51.41 69.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.557 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 38.1 t70 -68.43 -38.89 81.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.528 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 57.1 mm-40 -55.96 -48.72 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 176.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -61.65 -41.21 97.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.295 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' ASP . 65.1 mtp180 -63.77 -37.8 88.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.585 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 32.1 mmtp -74.14 -39.87 62.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.442 . . . . 0.0 110.816 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -61.7 -50.0 74.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.196 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 t -73.39 -29.2 62.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.408 -175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . . . -54.92 -37.73 66.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.179 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -66.11 -46.27 78.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.653 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 64' ' ' LEU . 3.9 mm? -70.94 -25.71 62.86 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.359 -178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 62' ' ' ALA . 46.1 mt-10 -70.07 -7.79 44.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.59 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 63.7 t60 66.75 29.27 8.65 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 66' ' ' HIS . 51.7 m170 66.88 104.26 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.615 -170.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -56.55 99.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.809 0.814 . . . . 0.0 112.406 -173.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -82.98 123.88 29.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.086 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -78.31 174.27 11.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.301 0.572 . . . . 0.0 111.55 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.5 t60 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.435 178.21 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.0 p -128.56 159.46 35.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.27 112.69 16.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.106 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 144.96 13.24 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.891 0.345 . . . . 0.0 111.644 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.76 -55.35 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.566 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.16 -35.53 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' B' ' 57' ' ' PHE . 50.2 mt -63.57 -42.4 98.32 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.358 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -71.49 -36.71 71.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.35 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.84 91.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -62.47 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.66 -40.52 87.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.25 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.66 -47.91 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.569 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 14' ' ' LYS . 14.4 tppt? -56.56 -49.73 73.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.247 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.3 mm? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.55 -43.82 98.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.229 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.39 84.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.79 -43.25 99.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.466 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -64.22 -35.76 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.8 m -71.57 -34.51 70.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.164 0.507 . . . . 0.0 110.402 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.63 84.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' B' ' 25' ' ' ASP . 95.8 mt -70.6 -26.85 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.516 ' HE3' HD12 ' A' ' 33' ' ' LEU . 1.3 tmtp? -57.25 -50.84 71.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.75 -27.58 58.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.981 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' B' ' 22' ' ' LEU . 24.6 t0 -64.97 -48.36 74.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.31 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.24 -38.28 78.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.739 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -59.45 -46.54 88.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.85 -38.39 88.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.502 HD22 HG21 ' B' ' 43' ' ' VAL . 58.8 tp -66.01 -37.11 85.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.32 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.212 0.529 . . . . 0.0 110.61 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.03 -22.39 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.97 6.45 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.516 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.008 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.4 mt -41.54 171.37 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.59 1.156 . . . . 0.0 114.034 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 1.008 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 19.84 20.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 1 C-N-CA 126.089 4.526 . . . . 0.0 117.93 -144.506 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.3 m -138.34 153.25 48.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 162.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.72 8.44 2.87 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.425 -0.417 . . . . 0.0 113.968 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -60.67 -19.22 57.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 112.195 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.41 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 65.2 t30 -72.73 -22.84 60.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.069 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.66 -12.13 59.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.807 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.481 ' HA ' HD21 ' B' ' 29' ' ' LEU . 52.2 mt -52.47 -45.94 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.719 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -59.96 -45.7 91.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.984 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 34.1 tt0 -63.86 -55.45 22.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.502 HG21 HD22 ' B' ' 29' ' ' LEU . 40.6 t -60.42 -44.65 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.272 -177.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.61 99.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.25 -48.72 80.16 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.169 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.1 mtmt -56.93 -48.63 77.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -58.94 -47.5 84.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.14 -49.31 70.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -58.92 -36.95 75.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.664 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.2 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.188 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 22.5 m-85 -65.88 -31.46 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.977 0.417 . . . . 0.0 110.766 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.13 -55.61 20.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.521 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.41 83.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.588 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.48 -49.85 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' B' ' 58' ' ' ARG . 29.1 t70 -68.76 -29.05 67.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.33 -50.24 66.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.672 0.272 . . . . 0.0 110.887 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.449 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 10.3 t80 -72.15 -28.26 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 69.2 ttt180 -58.52 -51.23 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 172.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 58.4 mmtt -55.93 -46.45 78.49 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -60.21 -59.62 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.009 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.0 m -68.48 -48.05 65.48 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.36 -25.72 66.93 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 111.568 -172.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -73.31 -39.94 64.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.3 -23.71 54.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.94 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 68' ' ' HIS . 32.2 mt-10 -78.36 -1.73 34.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.467 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.5 t60 65.31 41.92 4.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 63.97 87.93 0.11 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.608 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 65' ' ' GLU . 18.5 t60 -95.18 -10.0 31.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.855 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 78.1 t60 64.7 -78.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.227 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -179.89 106.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.984 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.48 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 53.5 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.328 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.907 0.384 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -136.51 142.16 43.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.61 115.21 22.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.394 0.616 . . . . 0.0 110.179 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 8' ' ' LEU . . . -131.73 151.18 19.7 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.562 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -24.46 64.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.66 -49.66 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 0.0 110.116 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.64 -36.85 85.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.159 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 4' ' ' GLY . 67.1 mt -62.69 -48.02 81.12 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.605 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -62.36 -43.57 98.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.449 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.91 85.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.833 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.18 -48.88 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 61.6 tp -60.97 -40.32 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -57.55 -44.25 85.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.302 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -59.06 -50.75 72.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.998 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -37.81 88.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.101 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -57.08 -52.36 65.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.44 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.6 -50.25 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.131 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.96 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.324 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 m -69.37 -38.7 78.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.851 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.43 94.22 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.302 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.1 mm? -72.5 -39.4 67.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -52.75 -55.43 22.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.3 ptp -67.74 -29.89 69.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.15 -52.55 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.032 0.444 . . . . 0.0 109.862 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HG12 ' A' ' 43' ' ' VAL . 58.6 tp -64.49 -35.65 81.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.161 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.496 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 35.8 t-80 -54.43 -57.69 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.26 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -71.19 -26.35 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.512 -175.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.4 tp -66.2 -45.38 81.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.896 0.379 . . . . 0.0 110.06 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.552 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . . . -75.49 -26.88 58.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.362 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 4.0 mm-40 -57.76 -45.65 85.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.833 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.47 76.61 1.04 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.496 0.665 . . . . 0.0 109.274 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.764 HD13 ' HG3' ' B' ' 23' ' ' LYS . 5.3 mt -64.55 178.75 0.43 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.115 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 4.6 Cg_exo 7.21 122.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.875 1 C-N-CA 125.628 4.219 . . . . 0.0 115.96 -129.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 34' ' ' PRO . 1.1 p 153.72 128.62 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 110.383 -3.099 . . . . 0.0 104.823 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.94 16.26 2.86 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.606 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HA ' HG13 ' A' ' 40' ' ' ILE . 18.6 p90 -61.34 -18.56 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.306 0.553 . . . . 0.0 111.869 -177.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.48 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 27.7 t-20 -68.57 -23.86 64.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.639 0.733 . . . . 0.0 109.761 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -95.84 3.89 53.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.668 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.597 HG13 ' HA ' ' A' ' 37' ' ' TRP . 24.0 mt -55.66 -43.18 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.41 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.4 mmt -56.89 -46.29 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.978 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -58.88 6.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.993 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 26' ' ' LEU . 22.1 t -58.1 -45.5 88.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.279 -177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.6 98.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.085 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.96 -47.9 78.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.19 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -60.99 -41.88 97.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.127 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 62.0 m -61.3 -49.73 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 87.0 t80 -65.98 -42.82 89.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.851 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.04 -54.67 44.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.734 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.93 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.284 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.96 -41.18 87.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.04 -49.91 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.139 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -54.72 -39.18 67.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.878 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.48 -50.01 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 109.948 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 29.1 t70 -65.71 -32.95 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -71.17 -36.97 72.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.891 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 61.2 t80 -67.24 -35.38 79.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HA ' HG22 ' A' ' 61' ' ' THR . 12.6 ttm180 -60.78 -42.21 97.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.684 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.5 mmtm -54.13 -48.89 70.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.392 0.615 . . . . 0.0 109.516 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.4 m -62.32 -53.38 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.913 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 58' ' ' ARG . 14.2 t -69.16 -30.37 68.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.449 -175.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.25 94.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.249 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -64.44 -37.7 88.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.046 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.33 -46.97 68.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' CB ' ' HB2' ' A' ' 67' ' ' HIS . 45.0 mt-10 -70.96 -15.64 62.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.369 -177.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 67.28 26.42 8.57 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -168.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 65' ' ' GLU . 3.2 t-160 -89.82 110.18 21.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.774 -174.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -116.39 171.48 7.81 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.536 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.2 t60 70.86 103.14 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.225 0.953 . . . . 0.0 111.761 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -96.05 157.25 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.571 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.306 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.409 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 21.2 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.6 p -70.66 -8.8 54.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.673 0.749 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 1' ' ' MET . 1.9 mm-40 -155.03 142.72 19.83 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 113.844 -1.525 . . . . 0.0 108.954 172.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.16 144.37 18.25 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.299 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.21 73.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.32 -46.46 60.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.56 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.52 -49.08 71.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.509 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 61' ' ' THR . 3.6 tt -57.08 -51.2 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.905 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.17 -45.93 82.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.9 85.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.74 -45.21 68.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.72 -42.1 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.321 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.16 -52.14 66.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.63 -45.93 92.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.135 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' LEU . 88.7 mt -67.31 -45.01 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.715 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -61.29 -44.77 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.11 89.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -65.52 -44.6 86.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -27.45 68.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.936 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.522 ' HA ' ' HZ3' ' B' ' 23' ' ' LYS . 55.1 m -75.09 -46.09 36.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.711 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 24' ' ' MET . . . -60.33 -53.67 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.612 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -65.22 -31.38 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.354 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.764 ' HG3' HD13 ' A' ' 33' ' ' LEU . 7.6 ttpm? -63.76 -44.22 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.279 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 23.9 ptp -72.04 -34.53 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.835 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -50.31 65.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.889 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.37 -40.71 95.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 3.7 t-160 -59.49 -51.07 71.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.481 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.02 -32.73 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.16 -40.09 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.6 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.859 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.35 -27.86 63.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.272 0.558 . . . . 0.0 110.895 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.58 -22.16 59.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.035 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.41 25.99 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.195 0.521 . . . . 0.0 110.373 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.024 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.3 mt -45.86 174.76 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.409 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 1.024 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 24.05 21.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.424 1 C-N-CA 125.789 4.326 . . . . 0.0 117.787 -146.413 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -126.67 136.0 51.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 159.782 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.24 21.12 63.79 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.51 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.515 ' HA ' HG13 ' B' ' 40' ' ' ILE . 41.5 p90 -58.32 -22.83 54.53 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 67.2 t30 -65.49 -21.63 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.902 -0.499 . . . . 0.0 110.548 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -92.48 -2.85 55.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.515 HG13 ' HA ' ' B' ' 37' ' ' TRP . 69.5 mt -53.5 -51.9 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 86.4 mtp -72.1 -44.69 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 30.1 tt0 -61.36 -46.96 88.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.809 0.337 . . . . 0.0 110.772 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.2 -42.19 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.285 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.47 93.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.992 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' B' ' 41' ' ' MET . 79.5 mt-10 -53.2 -57.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.098 0.475 . . . . 0.0 110.783 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' B' ' 42' ' ' GLU . 11.9 mptt -66.07 -35.86 81.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.041 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' B' ' 22' ' ' LEU . 39.2 m -64.91 -50.73 65.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.48 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 62.2 t80 -66.58 -41.07 89.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 9.9 tp10 -53.67 -52.34 60.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.05 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.74 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.93 -29.51 69.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.619 0.247 . . . . 0.0 111.662 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.96 -47.1 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 109.985 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 49' ' ' GLU . 87.6 mm-40 -59.92 -38.46 82.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.731 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 2.1 mm? -59.83 -48.59 81.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.79 175.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.96 -50.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.72 -41.61 97.86 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 120.932 0.396 . . . . 0.0 110.69 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.75 -46.15 91.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.832 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -63.31 -34.73 78.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.342 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -69.91 -41.35 74.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -67.59 -43.4 80.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.182 0.515 . . . . 0.0 109.942 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.664 HG23 HD11 ' B' ' 8' ' ' LEU . 98.4 m -63.82 -35.66 81.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.91 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.42 81.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.027 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 24.5 t -67.87 -41.11 83.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.138 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.85 -36.68 78.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.894 ' HB3' ' HB3' ' B' ' 68' ' ' HIS . 29.2 mt-10 -67.36 -13.03 61.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.549 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 61.67 36.01 16.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -174.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 39.0 m80 67.9 41.34 2.14 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.415 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.894 ' HB3' ' HB3' ' B' ' 65' ' ' GLU . 21.7 t-80 -69.05 -68.61 0.39 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.361 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 58.46 96.03 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -146.04 -90.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.244 0.803 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.026 0.441 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -98.74 152.58 19.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 170.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -147.47 159.25 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.337 0.589 . . . . 0.0 110.791 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.41 133.93 14.7 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 115.426 -0.807 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.46 67.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.117 0.484 . . . . 0.0 111.355 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.17 -53.44 55.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.62 -34.62 77.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.901 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -54.27 -51.74 63.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.059 175.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -69.45 -34.77 74.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.085 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.37 85.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 82.7 tttt -67.93 -42.01 81.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.889 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.55 -42.06 99.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.203 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -52.87 -48.17 67.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.08 0.466 . . . . 0.0 110.527 175.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.15 -54.9 41.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.214 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 54' ' ' LEU . 98.4 mt -64.53 -42.12 95.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.836 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -60.98 -46.0 92.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.472 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.32 92.89 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.68 -47.34 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.31 87.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 m -67.37 -40.35 85.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.84 83.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.053 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -70.02 -31.9 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 39.6 ttmt -55.73 -48.81 74.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -68.22 -37.6 81.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.756 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.63 -50.75 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.394 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.77 -40.89 83.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' B' ' 31' ' ' GLU . 21.1 t60 -60.47 -42.83 97.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.491 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.88 -42.56 85.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.44 -36.08 76.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.091 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.26 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.158 0.504 . . . . 0.0 110.676 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.59 -40.57 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.388 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.38 65.36 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.015 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.897 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -65.97 172.9 2.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.677 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.897 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 13.53 -166.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 125.898 4.399 . . . . 0.0 116.595 -141.132 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.0 m 72.39 -56.3 0.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.158 -166.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.32 25.37 12.51 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.211 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' HA ' HG13 ' A' ' 40' ' ' ILE . 21.8 p90 -56.64 -25.51 53.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.046 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.26 -25.61 67.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.615 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG2' HG23 ' A' ' 43' ' ' VAL . 49.3 ttt180 -106.13 4.33 28.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.971 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.546 HG13 ' HA ' ' A' ' 37' ' ' TRP . 69.3 mt -53.52 -51.27 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.632 0.253 . . . . 0.0 111.68 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 52.8 ttm -68.56 -43.56 76.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.955 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.96 -47.92 79.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 39' ' ' ARG . 89.4 t -62.26 -48.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.51 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.91 74.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.661 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 41' ' ' MET . 74.3 mt-10 -50.71 -60.75 2.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 122.877 0.471 . . . . 0.0 111.35 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.34 -28.16 62.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.02 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 m -62.42 -54.26 42.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 84.2 t80 -65.29 -44.65 87.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.43 -32.72 70.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.74 -52.74 40.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.578 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -59.83 -39.5 85.31 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.868 0.366 . . . . 0.0 110.603 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.05 -56.03 27.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.828 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.99 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.557 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.0 tt -63.2 -48.24 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.824 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' ARG . 37.8 t70 -71.81 -31.25 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.651 0.263 . . . . 0.0 111.077 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.28 -41.9 93.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.37 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 49.7 t80 -69.58 -38.32 77.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.527 175.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 45.0 ttt180 -57.23 -46.23 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.18 175.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -59.03 -48.96 79.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.63 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' HD23 ' A' ' 64' ' ' LEU . 28.2 t -60.91 -45.12 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 12.7 t -73.45 -29.27 62.44 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.803 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.57 98.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 111.11 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 p -70.61 -20.85 62.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.305 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 60' ' ' SER . 4.1 mm? -89.56 -31.05 17.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 61' ' ' THR . 48.0 mt-10 -70.77 -15.76 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 60.96 43.48 11.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -166.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -62.29 -22.48 66.06 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.221 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 t60 65.49 87.67 0.11 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.1 m170 66.43 136.0 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.589 -171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -85.69 101.09 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.733 0.778 . . . . 0.0 111.118 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.253 1.273 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.518 173.047 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.77 0.319 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -146.75 137.53 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.98 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.83 109.5 19.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.668 0.747 . . . . 0.0 109.613 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.56 152.84 20.59 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.6 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.35 -17.99 63.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.49 -56.19 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.763 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.45 -32.98 70.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.21 -36.63 82.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.33 -47.94 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.291 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.29 93.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.729 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -52.95 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.358 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.333 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.5 -47.05 80.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -60.83 -51.16 70.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.732 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' B' ' 54' ' ' LEU . 79.4 mt -65.68 -45.24 83.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.707 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.0 111.09 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.75 -40.56 72.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.724 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -66.05 -44.27 85.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.6 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.041 0.448 . . . . 0.0 110.881 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -67.2 -38.4 85.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.64 79.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' B' ' 46' ' ' LYS . 3.6 mm? -63.14 -26.5 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.486 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -55.69 -54.9 38.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.857 0.36 . . . . 0.0 110.656 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.12 -24.41 58.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.34 -36.66 68.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.036 0.446 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.428 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.6 tp -81.19 -45.5 16.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.16 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -50.97 -54.82 21.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.88 -25.53 59.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.946 -173.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.88 -40.74 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.035 0.445 . . . . 0.0 110.201 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -74.81 -25.13 58.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.539 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 39.5 tt0 -78.05 -43.71 28.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.691 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.12 27.23 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.752 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.797 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.0 mt -40.8 169.5 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.797 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 5.3 Cg_exo 2.63 122.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.624 0 C-N-CA 125.08 3.854 . . . . 0.0 115.609 -131.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 34' ' ' PRO . 1.4 p 175.15 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 111.411 -2.631 . . . . 0.0 106.55 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.61 43.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.372 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.524 ' H ' ' HE3' ' B' ' 37' ' ' TRP . 5.7 p90 -55.26 -27.57 47.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.052 0.541 . . . . 0.0 111.725 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.402 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.3 t-20 -65.45 -26.03 67.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.511 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -88.82 -3.49 58.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.332 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.45 -44.24 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.08 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 95.5 mmm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.83 -53.29 59.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.351 0.596 . . . . 0.0 110.132 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.488 ' HA ' ' HE2' ' B' ' 46' ' ' LYS . 40.9 t -64.54 -42.83 96.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.887 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.86 79.34 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.962 0.41 . . . . 0.0 110.357 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 49' ' ' GLU . 34.2 mt-10 -60.78 -57.8 11.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.716 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' B' ' 22' ' ' LEU . 50.4 mtmt -58.88 -50.51 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.619 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -66.13 -46.52 77.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.538 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.01 -44.97 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 45' ' ' GLU . 2.4 tm-20 -59.11 -48.42 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.852 -178.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.07 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.485 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.6 m-85 -66.4 -40.67 89.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -61.49 -48.73 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -66.6 -37.45 84.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' B' ' 15' ' ' LEU . 66.4 tp -59.13 -49.73 76.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.591 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 27.2 t70 -67.93 -41.94 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.9 -45.1 94.1 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.652 0.263 . . . . 0.0 111.547 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -61.43 -37.24 82.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' B' ' 61' ' ' THR . 0.0 OUTLIER -64.69 -35.76 82.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.727 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.5 mmtt -63.53 -49.79 72.1 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.219 0.533 . . . . 0.0 109.629 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -62.23 -38.71 90.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.749 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.526 HG22 ' HA ' ' B' ' 58' ' ' ARG . 14.8 t -83.99 -23.37 31.04 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.343 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.1 96.22 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.695 0.283 . . . . 0.0 111.088 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -64.75 -42.26 95.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.386 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.2 mm? -72.43 -38.19 68.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.986 0.422 . . . . 0.0 111.175 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.45 -15.74 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.743 0.782 . . . . 0.0 110.167 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 53.2 m80 58.24 50.95 9.02 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.757 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HD2' ' HA ' ' B' ' 70' ' ' HIS . 4.0 t60 -79.4 52.88 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.022 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -60.54 -37.58 81.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.733 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -82.48 91.71 6.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' B' ' 67' ' ' HIS . 34.3 t-80 -76.6 127.85 33.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.545 -165.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 117.082 -1.437 . . . . 0.0 107.731 173.473 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -138.66 143.87 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.24 131.73 51.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.322 0.582 . . . . 0.0 110.519 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -120.88 125.84 6.37 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 175.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -57.33 -27.29 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.094 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.51 -45.33 83.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.405 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.99 -36.76 75.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.051 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 3.7 mm? -57.66 -48.75 78.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.391 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -66.15 -40.19 90.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.98 0.419 . . . . 0.0 110.873 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -66.71 -46.57 75.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.889 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 61' ' ' THR . 54.1 tp -59.01 -44.48 91.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.856 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.85 -51.65 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.696 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.43 -49.64 75.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.808 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.03 -42.06 97.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.678 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 26.2 t-20 -60.6 -50.9 71.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.014 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.54 91.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.21 -47.74 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.21 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.7 m -60.34 -45.6 92.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.184 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.35 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.152 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.326 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' B' ' 33' ' ' LEU . 34.3 ttpt -66.42 -44.81 81.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.78 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.28 -48.7 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -63.26 -35.78 81.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.75 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.92 -38.98 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.89 -34.44 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.792 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -70.39 -25.55 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.501 . . . . 0.0 110.533 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.614 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.99 76.06 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 0.0 109.762 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.875 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.1 mt -87.66 171.03 10.38 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.084 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.875 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 8.9 Cg_exo -3.65 121.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.782 0 C-N-CA 125.006 3.804 . . . . 0.0 115.399 -136.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 175.32 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 111.065 -2.789 . . . . 0.0 106.194 -178.263 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.85 32.83 5.17 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.967 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.52 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.2 p-90 -56.51 -21.79 28.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.21 -32.01 71.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.085 0.469 . . . . 0.0 109.97 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 43' ' ' VAL . 39.7 ttt-85 -78.69 -7.89 58.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.627 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG13 ' HA ' ' A' ' 37' ' ' TRP . 35.5 mt -52.91 -41.94 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.044 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' B' ' 45' ' ' GLU . 97.1 mmm -65.86 -51.53 58.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 1.5 mp0 -55.54 -44.8 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.604 -177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 39' ' ' ARG . 51.7 t -66.27 -53.28 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.349 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.31 71.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.33 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' MET . 47.7 mt-10 -58.59 -57.29 13.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.203 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -73.97 -29.3 61.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.234 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.9 m -66.15 -51.45 57.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.416 0.151 . . . . 0.0 111.002 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -64.6 -48.85 73.39 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.565 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 57.9 mm-40 -59.62 -32.19 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -47.83 60.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.646 0.26 . . . . 0.0 110.513 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.25 -33.65 73.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 14.6 ptm180 -66.64 -41.59 88.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.279 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -37.49 70.91 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 16' ' ' ASN . 6.3 tt -57.52 -51.65 68.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.991 176.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 24.9 t70 -66.84 -35.35 79.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.658 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.77 -48.41 77.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.749 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.493 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 2.4 t80 -65.4 -36.25 83.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 58.5 ttt180 -56.41 -51.46 68.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.234 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -69.34 -32.04 70.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -178.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 m -68.59 -48.44 64.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.766 HG21 HD22 ' A' ' 12' ' ' LEU . 9.7 t -74.01 -29.08 61.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.045 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 67' ' ' HIS . . . -65.44 -25.13 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.794 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.4 m -74.11 -33.2 63.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.271 0.558 . . . . 0.0 110.199 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.28 -40.69 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.621 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -73.42 -13.04 61.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.379 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t60 65.0 77.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.172 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.464 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 7.9 p-80 -49.57 144.97 5.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.762 -171.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.98 145.42 27.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.698 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -143.12 56.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.872 0.368 . . . . 0.0 110.94 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.2 m80 72.8 148.15 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.908 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.572 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -64.85 130.24 42.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.595 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -134.72 126.27 28.69 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.501 ' O ' HD23 ' B' ' 8' ' ' LEU . . . 168.05 -168.72 40.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.048 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.44 -29.7 61.97 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.5 -50.68 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.43 -39.42 94.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.949 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 4' ' ' GLY . 4.4 mm? -63.19 -51.5 66.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.31 -41.55 98.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.685 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.818 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.32 -44.94 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.2 tp -54.75 -46.23 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.891 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -55.03 -49.67 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.773 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -63.64 -48.3 77.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.193 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.25 -38.08 81.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.575 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.95 -46.42 90.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.04 90.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.58 -51.81 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.872 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.63 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.998 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -62.43 -45.91 90.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.285 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -48.98 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.328 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.4 mm? -62.69 -36.85 84.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.772 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.578 ' HG2' HD13 ' A' ' 33' ' ' LEU . 39.1 ttpt -56.0 -55.06 37.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 111.229 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 44.1 mtt -75.51 -28.44 59.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.97 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.87 -39.91 94.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.3 -39.01 93.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.497 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 19.1 t-80 -57.17 -51.93 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.676 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -26.17 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.3 -38.48 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.111 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.837 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.4 -26.64 66.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.0 110.614 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -74.41 -22.1 59.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.71 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -113.7 24.65 11.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.686 0.755 . . . . 0.0 110.192 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.6 mt -53.95 169.0 0.38 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.568 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 12.45 19.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 1 C-N-CA 127.403 5.402 . . . . 0.0 119.208 -150.367 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 33' ' ' LEU . 20.2 m -100.2 -53.6 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 165.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.82 37.35 3.87 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.478 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.686 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 8.4 p-90 -68.3 -7.81 34.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.945 0.403 . . . . 0.0 111.718 -176.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -77.3 -8.34 57.47 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.754 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.403 ' HB3' HG23 ' B' ' 43' ' ' VAL . 95.7 mtt180 -101.74 -7.72 22.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.608 HG13 ' HA ' ' B' ' 37' ' ' TRP . 64.0 mt -52.11 -54.01 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 81.7 mtp -77.95 -31.74 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -57.82 7.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' B' ' 39' ' ' ARG . 78.2 t -60.37 -48.03 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.616 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.96 91.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.386 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.5 tt0 -58.08 -55.03 40.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.393 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.573 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -63.64 -35.87 81.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.001 -178.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 71.4 m -60.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.01 -44.09 85.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 56.4 mt-10 -54.24 -46.08 72.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.001 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.308 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -67.04 -37.47 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 111.406 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -64.04 -52.02 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -66.19 -32.65 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.11 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 51.5 tp -60.99 -43.94 98.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.491 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -68.62 -38.22 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -61.62 -42.03 98.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 110.296 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.53 -47.08 86.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.595 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' B' ' 61' ' ' THR . 21.8 mtp180 -68.71 -25.76 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.372 0.606 . . . . 0.0 110.79 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.24 -42.1 60.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.03 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -70.78 -36.68 73.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.905 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.603 HG22 ' HA ' ' B' ' 58' ' ' ARG . 6.6 t -74.58 -22.2 59.1 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.145 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.42 -37.35 74.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.136 0.493 . . . . 0.0 110.73 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -70.44 -15.38 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.742 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.05 -41.04 6.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.756 0.313 . . . . 0.0 111.456 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.19 -15.15 61.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.448 0.642 . . . . 0.0 110.953 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 66.9 t60 -138.52 -74.76 0.39 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.963 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' B' ' 66' ' ' HIS . 1.5 t-80 172.32 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -157.54 126.17 5.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 69.55 125.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.823 0.702 . . . . 0.0 109.217 -172.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -51.4 -54.41 26.86 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.789 0.328 . . . . 0.0 110.99 -173.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.356 171.346 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.946 0.403 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.562 ' HB3' ' HG2' ' A' ' 7' ' ' GLU . 25.4 m -92.1 156.5 17.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.41 -178.33 6.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.805 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.05 150.72 27.0 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.448 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.12 -24.75 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.064 0.459 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -62.25 -52.96 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.841 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.562 ' HG2' ' HB3' ' A' ' 2' ' ' SER . 8.8 tp10 -59.2 -42.27 90.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.211 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.46 -51.24 70.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.83 -178.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -71.81 -32.77 67.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.93 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.01 76.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.945 0.403 . . . . 0.0 110.806 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 15' ' ' LEU . 33.3 tttp -74.94 -39.49 61.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.14 -40.18 84.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.327 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -52.37 -48.9 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.32 -52.84 43.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.378 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 ' HB3' HD13 ' A' ' 54' ' ' LEU . 4.3 mm? -61.5 -40.35 94.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.768 -176.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -62.17 -52.72 62.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.437 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.72 96.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.935 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.02 -51.09 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.742 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -61.2 -45.34 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.523 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -54.94 41.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.067 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.1 mm? -64.98 -37.58 88.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.647 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 51' ' ' TYR . 33.3 ttmt -55.26 -51.56 66.27 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.4 ptp -75.43 -38.18 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.59 -45.1 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.971 -174.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.18 -35.3 78.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' HD2' ' HB1' ' B' ' 30' ' ' ALA . 15.6 t-160 -56.29 -50.78 70.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.497 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.21 -32.34 61.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.79 -40.23 96.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 -26.73 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -84.95 -22.93 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -90.71 56.97 3.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.978 0.894 . . . . 0.0 109.663 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.958 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -63.96 168.76 5.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.906 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.958 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 9.98 20.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.392 1 C-N-CA 127.778 5.652 . . . . 0.0 119.685 -154.269 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 33' ' ' LEU . 28.5 m -105.66 -69.07 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 168.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.04 0.78 89.58 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.685 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.696 ' HA ' HG13 ' A' ' 40' ' ' ILE . 6.4 t90 -53.03 -32.92 49.37 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.493 0.717 . . . . 0.0 111.454 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.11 -26.64 39.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.424 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -115.23 2.93 14.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.75 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.0 mt -57.24 -48.65 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.0 ttm -59.95 -40.67 89.79 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.9 tt0 -65.07 -49.62 69.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.313 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.0 -47.78 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.123 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.26 87.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -56.21 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.554 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.9 mtmt -67.24 -34.1 76.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.651 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 45.4 m -62.51 -47.75 82.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 110.152 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.6 -47.57 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.198 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.71 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 5.2 mm-40 -62.01 -44.62 96.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.19 98.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.392 . . . . 0.0 110.612 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' HE1' ' HE2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -73.07 -38.45 66.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -178.071 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.71 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 2.9 ptm180 -66.92 -37.96 85.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.43 -40.4 77.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.358 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 15' ' ' LEU . 65.8 tp -62.99 -45.1 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.04 -45.38 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -59.87 -43.04 94.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.146 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.81 -42.05 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 110.314 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -66.17 -41.67 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -60.66 -46.8 88.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.296 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -60.31 -50.96 71.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.271 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t -66.68 -32.67 74.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.045 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.4 82.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.166 0.508 . . . . 0.0 110.189 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.213 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.21 -34.89 77.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.053 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.54 -15.62 63.6 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 111.452 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -93.89 -52.76 4.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.381 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 71.73 -43.63 0.57 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.041 0.838 . . . . 0.0 112.503 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -70.4 89.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 111.409 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -91.86 -25.02 19.15 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.4 t60 66.65 -72.93 0.08 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.755 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.818 -178.629 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' B' ' 7' ' ' GLU . 17.4 m -144.88 132.6 21.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 173.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -91.59 105.1 17.5 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.483 0.658 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.25 144.7 4.42 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.44 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -60.3 -28.47 68.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.65 -55.55 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.419 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 11' ' ' LYS . 0.2 OUTLIER -60.78 -40.91 94.34 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.434 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.431 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 2.0 tt -61.12 -46.77 89.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.011 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 1.4 tptm -76.29 -42.47 45.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.289 -175.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.56 81.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.842 0.353 . . . . 0.0 110.341 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' B' ' 7' ' ' GLU . 12.8 tttp -73.53 -43.77 59.16 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.448 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.65 -47.11 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 2.1 tppp? -59.38 -49.07 79.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.483 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -59.85 -51.83 68.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.465 HD23 ' HG2' ' B' ' 11' ' ' LYS . 4.1 mm? -64.17 -42.96 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.052 0.453 . . . . 0.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.6 90.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.764 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -46.54 85.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.62 96.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.8 m -64.7 -33.5 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.63 80.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.261 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -66.3 -33.15 75.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -54.56 -50.71 67.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.684 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.06 -32.34 61.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.341 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -45.95 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.645 0.26 . . . . 0.0 110.716 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 47' ' ' THR . 49.1 tp -69.65 -43.84 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 12.7 t-80 -65.47 -39.47 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.119 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.17 -45.05 92.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.201 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 40' ' ' ILE . 20.9 tp -64.12 -36.26 83.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.877 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 27' ' ' HIS . . . -66.36 -38.52 87.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.756 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 19.5 mm-40 -73.5 -24.98 60.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.223 0.535 . . . . 0.0 110.242 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -99.22 26.75 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.144 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.929 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.4 mt -42.18 167.84 0.06 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.96 172.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.4 OUTLIER 8.89 134.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.279 1 C-N-CA 126.624 4.883 . . . . 0.0 116.921 -147.368 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.707 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 63.1 m 96.92 -45.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 113.37 -1.741 . . . . 0.0 109.837 -165.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 29' ' ' LEU . . . -88.44 -5.36 75.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.348 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.707 ' HD1' ' H ' ' B' ' 35' ' ' THR . 41.6 p-90 -65.13 -25.09 67.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.607 -174.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.3 -18.89 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.477 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -98.36 -5.79 32.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.663 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.58 HG13 ' HA ' ' B' ' 37' ' ' TRP . 47.4 mt -58.76 -51.74 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 46.4 ttm -61.24 -44.59 97.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.52 -48.79 66.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.067 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.69 -47.15 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.338 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.47 89.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.4 -55.84 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.75 -36.96 84.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.379 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.455 HG21 HD22 ' B' ' 26' ' ' LEU . 36.3 m -64.28 -48.05 77.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.774 0.321 . . . . 0.0 110.331 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.5 -46.8 88.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.084 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.85 -48.85 78.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.962 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.91 92.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.322 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.77 -32.12 67.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.475 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 17.6 ttm-85 -67.21 -46.36 74.08 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -63.05 -33.77 76.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.048 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.04 -45.56 80.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.96 98.91 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 39.2 mm-40 -62.93 -43.95 97.4 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.311 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 57.2 t80 -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -63.04 -47.77 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.991 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -54.66 -46.18 73.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.324 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.7 m -65.7 -50.45 64.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.376 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -71.04 -36.5 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.252 -174.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.07 67.17 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.193 -0.317 . . . . 0.0 111.09 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -82.62 -7.39 59.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 64' ' ' LEU . 4.0 mm? -115.53 -22.8 9.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.039 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' B' ' 66' ' ' HIS . 9.0 tt0 -87.65 5.26 40.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.566 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' HIS . . . . . 0.435 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 39.6 t-80 74.97 22.71 1.79 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.613 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.423 ' O ' ' HB3' ' B' ' 68' ' ' HIS . 14.9 m-70 66.93 160.93 0.16 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.708 -175.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' B' ' 67' ' ' HIS . 59.8 t60 65.53 100.87 0.04 OUTLIER 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.809 -173.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -72.2 125.38 27.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -49.16 -54.85 14.49 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.772 0.67 . . . . 0.0 110.849 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.816 173.35 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -77.22 -5.84 50.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.32 0.581 . . . . 0.0 111.675 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -145.78 132.62 20.09 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.069 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 -168.28 12.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.053 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 8' ' ' LEU . . . -69.12 -20.47 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.137 0.494 . . . . 0.0 111.513 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.24 -35.52 76.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.919 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 25.0 tp -61.08 -40.8 95.09 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -69.42 -38.25 77.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.73 73.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 15' ' ' LEU . 5.0 tmtm? -65.29 -47.37 76.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.534 175.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 60.0 tp -61.93 -40.98 97.37 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -52.46 -49.52 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.57 -50.82 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD11 ' HE3' ' A' ' 11' ' ' LYS . 81.9 mt -64.19 -45.99 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.404 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.65 -50.7 67.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.039 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.1 85.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -66.14 -49.13 68.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.67 96.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.313 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -68.64 -37.14 79.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.111 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -53.27 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -29.83 70.86 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' HE1' ' A' ' 51' ' ' TYR . 89.0 tttt -56.58 -43.92 80.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.409 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 25.5 mmt -76.32 -37.76 56.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.99 -43.98 98.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.461 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.15 -45.1 94.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.188 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -64.38 -38.45 91.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.506 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.18 -42.21 96.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.279 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 40' ' ' ILE . 41.1 tp -63.52 -35.93 82.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.45 85.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -22.16 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -90.01 13.78 13.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.472 0.653 . . . . 0.0 110.701 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.769 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.7 mt -56.71 173.58 0.3 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.841 169.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.769 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 10.53 127.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 124.897 3.731 . . . . 0.0 114.953 -131.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 56.3 m 96.52 -14.62 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 112.688 -2.051 . . . . 0.0 109.72 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.01 27.07 7.6 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.939 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 34' ' ' PRO . 98.1 m95 -71.25 -37.9 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 111.69 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.82 -12.98 61.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.986 0.422 . . . . 0.0 111.622 -169.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -95.69 -9.48 31.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.979 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.516 ' HA ' HD21 ' A' ' 29' ' ' LEU . 48.0 mt -53.76 -51.58 42.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.272 -174.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 1.0 OUTLIER -58.85 -43.46 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -64.99 -58.57 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.186 0.517 . . . . 0.0 110.771 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.71 -39.28 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.209 -176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.2 94.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.438 0.161 . . . . 0.0 110.797 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.6 -56.61 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.87 -47.2 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.196 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.405 HG22 ' CZ2' ' B' ' 37' ' ' TRP . 18.0 m -67.27 -44.78 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.874 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 75.4 t80 -60.85 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.935 0.398 . . . . 0.0 110.387 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 2.9 mm-40 -66.22 -42.4 88.77 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.994 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.34 93.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' HE1' ' HD2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.46 -32.82 74.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.037 0.446 . . . . 0.0 109.832 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 28.5 ttt180 -70.34 -42.78 71.45 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.878 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 27.3 mm-40 -59.83 -32.04 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.318 . . . . 0.0 110.57 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.83 -37.13 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 110.048 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.45 -37.76 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.492 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -55.29 -40.14 70.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 109.777 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 66.8 t80 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.081 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -60.68 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -59.08 -51.63 69.19 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.647 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 19.4 m -62.77 -49.56 74.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.525 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.6 m -64.81 -45.7 85.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.1 94.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -76.44 -28.65 56.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.693 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.96 -41.32 36.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.146 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.61 -11.81 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.95 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 71.35 19.32 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.405 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -114.08 93.63 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.509 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -63.36 125.79 25.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.23 70.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.984 0.802 . . . . 0.0 110.474 -175.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -116.25 137.24 52.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.853 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.012 173.515 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -128.93 152.17 48.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 73.5 115.75 0.06 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.836 0.826 . . . . 0.0 111.366 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 160.56 21.65 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.983 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.28 63.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.537 0.208 . . . . 0.0 111.268 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -60.61 -49.87 75.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.916 0.388 . . . . 0.0 110.994 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.35 -35.79 80.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.95 -48.43 71.34 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.14 -40.01 93.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.36 90.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.87 -47.83 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.546 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 -42.37 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.94 -50.27 73.12 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.29 -48.66 80.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.416 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.92 -50.99 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.014 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.12 99.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.353 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -61.57 -47.97 83.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.22 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.879 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 39.6 m -60.35 -42.17 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.968 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.19 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -33.28 74.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.436 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' B' ' 23' ' ' LYS . 35.5 ttpt -53.0 -51.27 62.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 0.0 110.551 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -76.1 -35.51 59.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.626 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.02 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.057 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tt -63.7 -49.75 71.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -66.18 -36.27 82.64 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.85 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.64 -42.45 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.389 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.08 -44.89 83.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.866 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.5 68.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.367 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.3 -25.46 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.251 0.548 . . . . 0.0 110.014 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -98.88 25.22 6.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.357 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.012 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.0 mt -43.83 174.13 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 1.012 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.04 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.395 1 C-N-CA 126.106 4.538 . . . . 0.0 118.014 -145.323 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -129.32 134.43 47.91 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 159.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.77 72.51 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.258 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' B' ' 33' ' ' LEU . 21.8 t-105 -58.09 -36.73 73.29 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 111.039 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.406 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 54.6 t30 -64.8 -22.39 66.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.533 . . . . 0.0 110.985 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' HG23 ' B' ' 43' ' ' VAL . 18.4 tpt180 -78.15 -16.39 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.495 HD11 HD21 ' B' ' 33' ' ' LEU . 56.6 mt -53.67 -51.79 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.388 -175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 55.9 tpp -58.22 -52.77 64.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.399 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 29.4 tt0 -56.97 -54.21 49.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.483 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG3' ' B' ' 39' ' ' ARG . 68.0 t -62.51 -46.89 95.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.2 -53.26 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.873 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.4 mtmt -67.34 -33.08 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.218 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.1 m -66.73 -44.05 82.57 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.297 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.37 -51.73 67.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.045 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.37 -37.54 78.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.894 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.71 72.14 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -65.96 -35.43 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -60.36 -52.67 64.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.368 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -62.81 -30.94 71.86 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.331 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.921 0.391 . . . . 0.0 110.232 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.37 -42.93 78.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.35 -28.5 68.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 111.32 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.4 -41.35 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' B' ' 61' ' ' THR . 16.7 mtp180 -64.08 -38.77 92.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.762 176.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -55.66 -51.76 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.229 0.538 . . . . 0.0 110.121 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.6 t -59.22 -55.35 36.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.232 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' B' ' 65' ' ' GLU . 11.3 t -66.36 -20.33 66.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.704 -174.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.17 -46.2 21.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.01 0.433 . . . . 0.0 110.52 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -67.21 -42.14 84.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.7 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.47 -15.45 58.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.061 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 61' ' ' THR . 36.6 tt0 -78.2 -10.41 59.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.217 0.532 . . . . 0.0 109.659 175.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 72.0 t60 72.4 2.45 4.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.509 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -84.24 54.77 3.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.764 -173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -78.8 51.23 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.803 0.811 . . . . 0.0 110.329 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -143.4 136.54 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.871 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -102.91 2.03 34.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 19.9 t60 . . . . . 0 C--O 1.252 1.187 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.48 -179.231 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t 65.49 162.09 0.14 Allowed 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.673 0.608 . . . . 0.0 110.159 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -160.6 118.63 2.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.224 0.535 . . . . 0.0 110.201 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.01 156.34 17.38 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.666 -173.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.24 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.336 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.43 -39.04 89.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.569 0.699 . . . . 0.0 109.786 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 24.9 tp -60.58 -51.3 70.01 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -70.04 -36.91 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.081 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.58 90.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -70.95 -40.79 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.879 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.62 -43.11 89.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -53.19 -53.56 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -55.51 -53.14 60.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.749 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.0 mm? -62.71 -37.94 88.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.01 -47.38 80.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.62 80.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -62.23 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.378 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.24 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 m -63.86 -38.93 92.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.934 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.2 82.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.038 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.7 mm? -81.99 -28.98 32.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.318 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -43.66 97.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -75.2 -26.27 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.755 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.94 -49.34 58.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 109.864 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 HD11 ' B' ' 33' ' ' LEU . 66.1 tp -64.01 -42.76 97.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.436 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -59.42 -39.33 83.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.69 -44.09 67.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.59 -32.24 67.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.06 66.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 -44.26 12.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.289 0.566 . . . . 0.0 109.517 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -88.86 66.75 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.839 0.828 . . . . 0.0 109.642 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.873 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.4 mt -87.32 171.18 10.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.0 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.873 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 12.4 Cg_exo -2.3 120.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 124.822 3.681 . . . . 0.0 115.323 -136.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 167.82 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.393 -2.64 . . . . 0.0 106.499 -176.568 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.83 31.72 2.79 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 114.119 -1.401 . . . . 0.0 111.279 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.605 ' HD1' ' HA ' ' A' ' 34' ' ' PRO . 60.5 p-90 -63.72 -13.89 47.47 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.039 0.536 . . . . 0.0 112.35 -176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 62.5 t30 -68.18 -20.95 64.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.376 0.608 . . . . 0.0 109.853 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -97.02 4.83 51.28 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.189 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.537 HG13 ' HA ' ' A' ' 37' ' ' TRP . 47.3 mt -57.84 -44.86 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.4 tpp -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.903 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 25.6 tt0 -61.47 -55.35 32.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.286 0.565 . . . . 0.0 110.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.555 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 40.7 t -61.06 -39.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.149 -177.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -59.9 -47.06 87.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.042 0.448 . . . . 0.0 110.493 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.61 -50.61 72.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.582 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 43' ' ' VAL . 54.8 mtmt -56.51 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 m -65.17 -43.93 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.4 t80 -68.95 -41.62 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.731 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.55 -49.57 74.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.39 68.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.509 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -66.56 -33.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.766 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HA ' ' CH2' ' B' ' 37' ' ' TRP . 50.4 ttt85 -62.95 -50.6 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.313 175.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 53.9 tp60 -63.9 -35.65 81.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.382 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.66 -50.25 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.12 -40.0 93.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.75 -37.53 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.901 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 10.3 t80 -70.67 -35.66 72.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.351 0.596 . . . . 0.0 109.982 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -69.48 -37.89 77.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -56.93 -47.84 79.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.69 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -68.6 -44.26 74.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.003 0.43 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m -61.3 -43.53 98.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.23 73.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.597 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 t -64.63 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.325 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.76 -35.31 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.485 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -77.85 -16.19 58.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.676 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 61.04 72.36 0.52 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.619 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -87.04 106.94 18.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.854 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -92.59 98.56 11.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.373 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -66.67 136.61 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -116.37 126.08 52.97 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -167.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 C--O 1.25 1.13 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 166.267 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m -104.91 154.18 20.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.393 . . . . 0.0 111.166 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.96 178.44 7.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.55 -175.46 15.78 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.579 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.87 -18.17 63.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.54 -55.88 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.93 -32.83 65.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 109.636 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -57.5 -44.17 84.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.108 177.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.59 -53.66 54.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.018 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.83 88.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.002 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.7 -44.2 64.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.032 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.85 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.73 -48.63 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.288 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -55.75 -54.38 45.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.398 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD13 ' B' ' 54' ' ' LEU . 4.3 mm? -63.95 -41.39 97.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.543 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.77 -46.01 92.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 109.971 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.06 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.2 -51.18 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.19 85.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -70.29 -39.62 74.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.363 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.42 87.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.11 -32.53 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 33' ' ' LEU . 86.0 tttt -61.63 -47.81 83.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.189 0.519 . . . . 0.0 110.373 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.55 -38.19 86.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.808 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.66 -40.23 76.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 33' ' ' LEU . 59.6 tp -62.68 -52.0 65.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.376 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -62.52 -36.2 81.82 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.076 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.9 -45.73 91.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.54 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -75.18 -26.67 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.816 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.92 -26.8 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.261 0.553 . . . . 0.0 109.725 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -107.35 26.7 9.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.184 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.2 mt -45.25 168.74 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 11.4 Cg_exo 0.69 122.72 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.691 0 C-N-CA 125.164 3.909 . . . . 0.0 115.804 -134.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m 167.06 -43.13 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 111.165 -2.743 . . . . 0.0 106.052 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.76 33.52 2.46 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.545 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 62.3 p-90 -65.1 -14.54 60.75 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.399 0.68 . . . . 0.0 112.281 -175.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 49.4 t30 -64.19 -23.85 67.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.314 0.578 . . . . 0.0 110.147 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -101.23 3.93 41.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.438 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 70.1 mt -53.21 -52.1 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.681 0.277 . . . . 0.0 111.306 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.485 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 53.2 ttm -63.62 -46.2 86.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.701 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.13 -50.23 73.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.43 -50.63 79.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.43 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.413 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.7 mt-10 -55.23 -55.57 29.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.881 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 11.9 mptt -68.04 -32.11 72.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 m -62.46 -45.86 91.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.434 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 54.5 t80 -66.69 -44.19 82.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 46.3 mt-10 -57.55 -47.05 83.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.049 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.43 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.399 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 23' ' ' LYS . 28.6 m-85 -66.33 -40.41 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.504 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.32 -51.16 70.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.449 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.67 -35.66 80.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' B' ' 15' ' ' LEU . 64.9 tp -61.93 -47.6 84.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.719 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 11.7 t70 -75.49 -32.98 60.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.505 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.86 -42.69 99.35 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.027 0.442 . . . . 0.0 109.901 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.53 -44.36 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.726 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.1 mmp_? -58.41 -44.24 88.94 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.228 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.0 mmtt -62.26 -51.06 69.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.259 0.552 . . . . 0.0 110.108 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -61.72 -44.48 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.787 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -59.07 -57.13 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.31 64.2 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.482 0.489 . . . . 0.0 111.594 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 40.3 m -64.45 -50.84 65.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.337 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -79.9 -25.56 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.391 0.615 . . . . 0.0 110.082 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 66' ' ' HIS . 26.6 tt0 -67.52 -15.15 63.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.641 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 70.1 t60 74.17 6.0 4.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.753 -173.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 60.02 96.35 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.834 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -78.63 164.14 24.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.036 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -107.57 157.59 17.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 172.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.67 124.38 20.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 48.3 t60 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.758 -179.532 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.52 0.2 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -90.0 142.74 27.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -152.29 149.94 29.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.01 123.59 5.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.009 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.08 -26.8 68.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.712 0.291 . . . . 0.0 111.096 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.08 -50.89 70.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.78 -38.39 88.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.997 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.5 -51.45 68.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -65.11 -43.1 93.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.915 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.64 83.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -72.33 -44.48 62.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.4 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -43.37 95.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.12 -49.66 77.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.639 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -54.53 -51.29 65.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.395 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -66.95 -37.04 83.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.026 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.47 -47.87 83.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.619 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.36 94.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.942 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.56 -47.87 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.726 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -61.97 -41.35 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.629 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.17 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -64.63 -28.1 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.312 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 66.5 tttm -59.68 -47.89 83.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -75.32 -24.57 57.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.4 -52.98 18.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 110.298 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.77 -36.98 84.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -52.65 -52.8 54.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.241 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -66.91 -35.34 79.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.745 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.59 -31.7 57.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.34 -39.57 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.58 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.5 pt-20 -72.32 -38.67 68.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 19.2 t70 -105.75 77.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.799 0.809 . . . . 0.0 110.433 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.001 HD12 ' HG3' ' B' ' 23' ' ' LYS . 8.2 mt -79.21 178.1 2.5 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.837 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 2.0 Cg_exo 6.53 122.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.885 1 C-N-CA 126.011 4.474 . . . . 0.0 115.939 -133.044 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 179.58 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.187 -2.733 . . . . 0.0 107.116 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.76 60.56 0.66 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 111.397 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.501 ' HE3' ' HA ' ' A' ' 34' ' ' PRO . 12.6 p90 -63.48 -20.67 65.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 111.402 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 7.3 t30 -70.4 -31.27 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.098 0.475 . . . . 0.0 109.922 176.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.027 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.5 mt -51.76 -50.28 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.476 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.8 ttm -65.36 -40.35 93.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.079 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 46' ' ' LYS . 26.5 tt0 -62.24 -57.2 12.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.52 -44.08 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.69 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.38 -46.59 88.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.295 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.27 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 0.0 110.474 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 42' ' ' GLU . 44.1 mtpt -62.45 -35.92 80.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.916 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.42 ' O ' ' HD1' ' A' ' 51' ' ' TYR . 87.1 m -66.7 -49.59 65.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 60.3 t80 -60.82 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.975 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.43 -34.39 76.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.332 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.52 67.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 47' ' ' THR . 50.0 m-85 -66.3 -32.73 74.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -58.06 -56.54 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.652 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -63.46 -37.37 87.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.228 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.26 -51.97 65.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 36.4 t70 -70.68 -30.82 67.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.275 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.17 -53.16 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.74 -37.58 87.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HA ' HG22 ' A' ' 61' ' ' THR . 46.5 ttt85 -70.56 -40.48 73.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.719 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -51.89 -53.85 36.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.362 0.601 . . . . 0.0 110.78 176.283 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -56.03 -55.54 31.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.302 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 58' ' ' ARG . 11.3 t -68.19 -31.0 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.736 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.49 -27.36 64.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 110.773 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -71.87 -44.21 64.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.887 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.73 -28.78 62.86 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.93 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -71.79 -13.92 61.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.208 0.528 . . . . 0.0 109.877 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 66.99 23.49 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.58 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -84.57 -27.3 27.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.318 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -115.03 100.51 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.095 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -167.58 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.927 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.17 132.8 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.1 m170 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.59 174.093 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.625 0.25 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' B' ' 3' ' ' GLU . 22.1 m -121.71 169.6 10.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' B' ' 2' ' ' SER . 31.9 tt0 74.43 146.87 0.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.879 0.737 . . . . 0.0 110.48 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.54 -166.37 31.73 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.835 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -59.15 -25.6 64.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.17 -48.56 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 109.968 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.24 -37.29 83.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.477 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.47 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 84.8 mt -63.94 -46.22 85.69 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 12.2 mptt -66.44 -38.61 87.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.85 88.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.502 . . . . 0.0 110.645 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -68.44 -45.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.909 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.7 -42.65 99.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.538 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -58.52 -47.2 84.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 110.561 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -58.61 -47.58 83.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.487 HD21 ' OE1' ' B' ' 53' ' ' GLN . 9.5 mp -66.83 -41.37 87.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.87 -47.68 84.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.848 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.32 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.323 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -72.9 -46.04 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 110.491 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.203 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 64.8 m -65.68 -37.51 86.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.929 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.42 -49.52 73.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.82 -36.59 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 1.001 ' HG3' HD12 ' A' ' 33' ' ' LEU . 84.4 tttt -55.79 -55.11 36.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.292 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 22.6 ptm -72.53 -32.24 65.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.46 -43.92 79.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.159 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.82 -43.51 83.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -53.84 -52.61 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.663 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.13 -35.06 79.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.702 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.45 -43.54 66.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.56 -22.41 66.69 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.24 0.543 . . . . 0.0 111.205 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.36 29.72 7.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.638 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' HA ' ' B' ' 30' ' ' ALA . 6.2 mt -40.41 176.68 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.676 ' HA ' ' HB3' ' B' ' 37' ' ' TRP . 0.2 OUTLIER 20.19 -91.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.685 0 C-N-CA 123.646 2.898 . . . . 0.0 113.633 -126.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 32.01 -83.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -167.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 34' ' ' PRO . . . -111.37 47.85 1.0 Allowed Glycine 0 C--N 1.333 0.412 0 N-CA-C 112.276 -0.33 . . . . 0.0 112.276 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.676 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 27.7 p90 -60.99 -21.08 63.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.415 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 66.8 t30 -65.86 -23.44 66.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 0.0 110.27 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -94.43 1.63 55.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.008 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' B' ' 37' ' ' TRP . 62.2 mt -56.01 -44.39 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.27 -38.2 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.75 -54.97 38.76 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.045 0.45 . . . . 0.0 110.303 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.9 t -56.69 -49.26 78.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.477 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.53 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.21 -50.45 73.6 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.193 0.521 . . . . 0.0 110.797 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.325 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -69.28 -46.44 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.365 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 74.8 t80 -61.11 -48.31 82.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.58 -47.26 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.422 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.563 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -73.01 -33.72 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.42 -50.91 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' B' ' 15' ' ' LEU . 0.0 OUTLIER -65.41 -34.11 77.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.4 -50.7 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.665 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 31.8 t70 -63.75 -38.03 89.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.799 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.45 ' OE1' ' HD3' ' B' ' 59' ' ' LYS . 5.5 mm-40 -69.8 -43.66 71.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.014 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.47 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 66.4 t80 -68.25 -33.44 74.39 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.65 -50.61 71.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.568 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 1.6 ptmm? -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.41 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 30.9 m -61.63 -50.86 70.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.294 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -70.87 -25.0 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.77 69.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -74.38 -25.55 59.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.723 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.93 -47.36 7.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -88.02 5.22 41.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.449 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -50.16 -59.14 4.22 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.365 0.416 . . . . 0.0 111.088 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -130.31 101.53 5.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.135 0.493 . . . . 0.0 109.889 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -61.54 127.66 32.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.043 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -106.22 -51.66 2.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 68.3 124.03 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.28 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 62.0 m170 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.047 176.332 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m 72.52 -5.94 1.71 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.404 0.682 . . . . 0.0 112.538 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 4.8 pt-20 -88.06 109.95 20.25 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.674 0.75 . . . . 0.0 110.445 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 136.44 27.72 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.922 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -21.89 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.606 -0.297 . . . . 0.0 111.52 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.03 -45.32 77.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.267 0.556 . . . . 0.0 110.118 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.81 -31.97 71.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.934 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.15 -43.62 98.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.163 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.67 -40.63 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.361 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.44 87.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.777 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.69 -49.61 75.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -57.69 -43.61 85.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.725 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -57.07 -48.41 78.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.479 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -54.81 -49.99 69.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.969 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.563 ' HB3' ' HG ' ' A' ' 54' ' ' LEU . 4.0 mm? -68.26 -42.28 79.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.54 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.83 -51.45 69.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.73 97.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.55 -49.84 71.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.27 93.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -72.9 -40.22 65.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.599 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.65 91.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 111.123 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.4 mm? -67.86 -26.64 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.791 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -61.32 -55.65 29.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -67.02 -31.52 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.53 -39.93 85.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.037 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' VAL . 63.3 tp -72.72 -43.55 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.868 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 37.2 t-80 -58.85 -44.82 91.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.44 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 0.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.9 tp -78.19 -37.94 44.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.911 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.79 62.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.523 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 57.7 mt-10 -75.35 -45.57 38.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.724 0.297 . . . . 0.0 110.654 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.38 80.19 2.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.741 0.781 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.71 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -68.96 -179.72 0.58 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 113.965 -1.47 . . . . 0.0 113.675 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.28 -84.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.586 0 C-N-CA 124.492 3.462 . . . . 0.0 113.961 -130.208 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m 24.83 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.42 43.43 1.72 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.056 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.487 ' HA ' HG13 ' A' ' 40' ' ' ILE . 49.2 p-90 -54.6 -24.72 22.45 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.882 0.873 . . . . 0.0 112.42 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 21.0 t-20 -63.04 -25.43 68.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.461 . . . . 0.0 110.587 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 39' ' ' ARG . 43.8 ttt-85 -93.9 -3.22 52.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.378 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG13 ' HA ' ' A' ' 37' ' ' TRP . 62.3 mt -55.64 -43.17 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.526 -177.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -44.71 84.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.82 -58.63 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.857 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 26' ' ' LEU . 9.9 t -56.8 -44.29 81.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.129 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.04 84.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.731 0.3 . . . . 0.0 111.067 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.2 -49.22 78.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.033 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -67.24 -37.62 83.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.412 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 84.8 m -63.52 -46.73 84.69 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -53.95 52.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.828 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 23.2 mm-40 -58.57 -36.84 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.68 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.77 65.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.767 0.317 . . . . 0.0 111.07 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -72.52 -33.53 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.828 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 8.9 ptm180 -66.57 -41.94 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.094 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -69.08 -40.37 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.568 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -59.15 -45.46 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.328 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -67.01 -43.18 83.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.669 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.61 -43.78 97.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.349 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -59.96 -47.77 84.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -60.61 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m -64.57 -43.14 94.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.202 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.6 m -68.24 -45.46 73.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.21 98.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.18 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -70.48 -25.12 63.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.096 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -81.72 -45.22 15.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.181 -178.64 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.94 -9.77 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 68.8 30.22 4.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.696 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.35 74.81 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.304 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -119.54 145.1 46.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.477 -173.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -99.12 139.35 34.89 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -137.26 79.26 1.74 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.985 0.422 . . . . 0.0 110.295 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.234 -0.889 . . . . 0.0 109.347 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m 71.57 -5.79 1.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.35 0.66 . . . . 0.0 112.102 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -149.8 -171.51 3.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.186 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.66 140.74 3.2 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.844 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -24.69 67.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.86 -56.52 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.738 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.34 -29.56 65.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.308 0.575 . . . . 0.0 110.185 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.04 -38.41 85.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.739 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -76.07 -32.59 59.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.65 96.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.203 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -62.43 -46.43 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.151 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.186 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.32 -48.04 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -52.95 -46.92 68.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.027 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.82 -43.12 76.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -61.1 -47.61 85.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.27 97.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.5 -48.34 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.498 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.081 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.86 -37.83 82.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.71 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' B' ' 22' ' ' LEU . 4.2 mm? -68.43 -31.07 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 86.6 tttt -54.19 -51.27 64.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.751 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 49.4 ttm -75.17 -37.69 61.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.668 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.45 -44.49 90.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.96 -45.92 76.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.793 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 36.4 t-80 -64.11 -41.44 97.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.718 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.13 -41.44 88.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.536 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.88 -38.54 79.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.976 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.12 83.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 40.2 mm-40 -73.19 -22.51 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -113.32 26.15 10.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.7 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.866 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.0 mt -42.48 168.65 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.866 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.6 Cg_exo -0.32 122.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.697 0 C-N-CA 125.108 3.872 . . . . 0.0 115.81 -135.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.715 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 11.0 m 169.79 -60.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 111.505 -2.588 . . . . 0.0 107.24 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.73 26.49 5.66 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.809 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.715 ' HD1' ' H ' ' B' ' 35' ' ' THR . 25.1 p-90 -64.32 -10.94 27.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.088 0.555 . . . . 0.0 111.908 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.93 -13.62 61.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.281 0.563 . . . . 0.0 110.085 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.404 ' O ' HG23 ' B' ' 43' ' ' VAL . 31.4 ttt180 -103.73 2.05 32.51 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 tt -60.97 -35.88 68.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 97.0 mmm -64.76 -51.81 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.648 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' B' ' 45' ' ' GLU . 29.5 tt0 -57.16 -45.94 83.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.338 0.589 . . . . 0.0 110.878 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 39' ' ' ARG . 48.8 t -60.85 -44.96 98.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.451 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.06 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.07 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 41' ' ' MET . 57.5 mt-10 -53.99 -57.74 9.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.724 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -40.34 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.349 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.4 m -60.53 -50.43 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.46 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 30.6 t80 -61.66 -48.4 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 33.6 mt-10 -59.35 -44.91 92.61 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.32 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.67 93.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -66.4 -38.84 88.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 110.332 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -58.35 -53.2 61.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.582 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 93.5 mt-30 -61.84 -38.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.183 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.48 -49.97 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.5 -43.25 94.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.4 -42.44 99.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.696 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.34 -43.89 96.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.87 0.366 . . . . 0.0 110.014 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.7 mmp_? -61.56 -47.89 83.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.185 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.13 -44.17 97.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.414 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -68.99 -44.91 71.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.242 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -65.36 -45.53 83.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.28 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -64.84 -44.67 89.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.2 mm? -76.98 -29.76 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -17.27 61.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.584 0.707 . . . . 0.0 110.172 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.95 -13.83 58.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.719 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -56.8 -67.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m170 57.38 -172.71 0.09 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.622 0.725 . . . . 0.0 111.736 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -98.29 139.97 33.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.743 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -163.98 134.83 4.43 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.583 -0.723 . . . . 0.0 109.646 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -88.19 155.59 19.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.34 105.01 16.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.639 0.733 . . . . 0.0 110.829 -175.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 8' ' ' LEU . . . -143.02 170.93 25.12 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.49 -51.3 70.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -66.72 -46.77 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.121 0.486 . . . . 0.0 110.368 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.32 -40.16 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.016 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 2.1 tt -58.41 -52.23 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.449 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -64.57 -45.7 85.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.084 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.18 97.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.734 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.1 tpmt? -69.5 -47.02 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.5 tp -57.72 -46.36 84.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.093 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.17 -50.39 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -63.51 -47.09 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.112 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 ' CD2' ' HE2' ' A' ' 11' ' ' LYS . 3.9 mm? -66.72 -41.19 88.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.423 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -60.09 -45.83 91.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.234 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.71 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.794 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -59.13 -52.17 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -64.07 -41.73 97.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.754 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.69 92.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -37.1 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.77 -38.97 76.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.737 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -75.08 -46.35 35.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.001 0.429 . . . . 0.0 110.52 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.08 -47.62 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.239 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.71 -41.96 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -62.42 -37.46 85.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.407 . . . . 0.0 110.555 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.97 -37.73 61.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.029 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.501 HD22 HG21 ' A' ' 43' ' ' VAL . 49.1 tp -69.33 -39.45 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 110.461 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -25.66 68.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.745 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.13 -40.5 59.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.085 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.25 33.39 0.98 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.334 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.03 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.5 mt -53.44 175.08 0.14 Allowed Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.931 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 1.03 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.66 20.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.353 1 C-N-CA 126.127 4.551 . . . . 0.0 117.983 -146.131 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -129.21 146.48 51.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 162.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.5 14.36 27.44 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.812 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.525 ' HB2' ' HD2' ' B' ' 51' ' ' TYR . 35.8 p90 -54.06 -24.98 19.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.15 0.58 . . . . 0.0 112.541 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.83 -21.19 66.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -103.74 3.5 34.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.615 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' HA ' ' A' ' 37' ' ' TRP . 74.9 mt -58.69 -45.88 90.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.895 0.379 . . . . 0.0 110.486 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -48.49 79.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.0 tt0 -58.49 -56.08 26.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 HD22 ' A' ' 29' ' ' LEU . 62.1 t -61.51 -41.73 91.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.64 98.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 110.614 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.26 -49.3 78.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.315 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.4 mtmt -64.02 -37.92 89.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.441 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -67.89 -45.28 74.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 0.0 110.545 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 86.1 t80 -60.41 -46.58 89.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.756 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 17.6 tp10 -61.11 -39.06 88.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.757 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.34 -54.27 42.92 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.761 176.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -63.35 -40.8 98.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.756 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 5.6 ptm180 -64.22 -42.37 96.6 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 19.4 tp60 -72.07 -33.76 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.428 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 15' ' ' LEU . 2.0 mp -54.48 -51.98 63.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.963 0.411 . . . . 0.0 110.657 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.61 -44.26 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.674 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 30.0 mt-10 -62.1 -38.0 87.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.87 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 82.2 t80 -70.1 -41.81 73.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -64.66 -46.46 82.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.625 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 8.9 ptmt -67.53 -29.39 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.065 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -79.88 -56.54 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.042 0.448 . . . . 0.0 110.626 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.469 HG21 ' HG ' ' A' ' 8' ' ' LEU . 32.3 m -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.44 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.16 -28.65 69.55 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 121.898 -0.501 . . . . 0.0 110.127 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 m -70.86 -39.64 72.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.98 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.79 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.866 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.98 -5.69 40.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 64.49 28.73 13.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.978 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -93.03 -48.46 6.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.192 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.39 121.29 14.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.652 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -73.9 152.83 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.998 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -117.2 93.78 4.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.3 t60 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.562 -0.732 . . . . 0.0 109.914 -178.506 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 121.059 0.456 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -146.75 133.57 20.1 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.52 104.09 16.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.714 0.769 . . . . 0.0 110.686 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.88 137.82 7.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.767 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.28 -26.4 64.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.22 -44.52 62.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -57.87 -43.46 86.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.91 -47.27 81.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.843 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.64 -49.4 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.76 92.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.03 -43.32 71.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -65.37 -38.43 90.01 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.799 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -57.91 -44.4 86.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -61.69 -52.22 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.628 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.04 -46.24 90.17 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.523 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.76 -44.45 90.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.876 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.97 90.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.5 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 26.8 tt0 -60.44 -44.55 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.497 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.08 85.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.33 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 47.3 m -63.53 -38.96 93.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.731 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.37 94.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 94.0 mt -66.04 -42.13 89.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.483 ' HG2' HD13 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -55.63 -43.02 75.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.016 0.436 . . . . 0.0 109.997 176.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt -68.18 -47.41 68.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.03 -39.79 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.507 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.2 -44.92 93.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 0.0 110.3 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.23 -33.4 73.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.65 -42.39 86.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 tp -68.87 -33.68 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -26.75 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.695 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.27 -22.43 28.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.418 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.76 23.55 6.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.981 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.993 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.2 mt -51.8 173.61 0.13 Allowed Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.993 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 17.91 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.638 1 C-N-CA 127.169 5.246 . . . . 0.0 119.068 -148.534 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 33' ' ' LEU . 2.0 p -129.19 132.56 47.31 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 160.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.62 18.18 69.78 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.556 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -57.29 -21.65 36.24 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.181 0.491 . . . . 0.0 111.738 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -63.58 -22.99 67.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -77.74 -18.22 56.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.351 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.93 -48.08 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' B' ' 41' ' ' MET . 9.3 mmt -60.12 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 111.404 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -67.74 -54.93 15.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.155 0.503 . . . . 0.0 110.427 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.3 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.268 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.17 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.46 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -72.37 -31.46 65.6 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.994 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' B' ' 46' ' ' LYS . 7.7 tppt? -64.22 -49.17 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.841 175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.42 ' HA ' HD13 ' B' ' 22' ' ' LEU . 56.6 m -62.55 -44.62 95.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.339 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.93 -50.1 74.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.121 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -49.49 76.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 0.0 110.566 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.78 98.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.692 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' TYR . . . . . 0.525 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 13.2 m-30 -69.02 -44.16 73.29 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.04 -51.69 65.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 110.685 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.61 -29.6 70.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.359 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.97 -46.12 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.717 0.294 . . . . 0.0 110.212 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.98 -43.17 93.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.084 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.94 -35.47 81.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 61' ' ' THR . 78.5 t80 -63.37 -45.05 92.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -47.19 84.79 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -56.03 -49.95 72.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.123 0.487 . . . . 0.0 111.035 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -63.48 -51.24 66.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.071 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 57' ' ' PHE . 11.1 t -73.43 -34.56 65.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.772 -173.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.47 -34.87 79.2 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.49 0.586 . . . . 0.0 111.26 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 35.8 m -64.91 -33.99 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.455 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.0 mm? -91.7 -20.43 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.39 -14.19 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.2 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 70.12 20.72 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.92 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.6 m170 69.95 -44.25 0.55 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.921 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -95.03 104.27 16.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' B' ' 70' ' ' HIS . 26.8 t60 -74.18 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.362 -173.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 69' ' ' HIS . 50.5 t-80 173.13 159.21 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.622 174.277 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.987 0.422 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -88.06 -2.3 58.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.291 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 83.73 121.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.257 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.9 134.39 10.79 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.328 -169.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.64 63.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.836 0.35 . . . . 0.0 110.29 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -65.11 -48.5 73.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.425 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.3 mp0 -62.18 -40.77 97.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.135 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 HD11 HG23 ' A' ' 61' ' ' THR . 2.2 tt -60.72 -47.72 85.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.145 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -61.92 -45.48 93.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.976 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.96 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.844 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HE3' ' OE1' ' A' ' 53' ' ' GLN . 1.1 tmtm? -68.17 -49.08 63.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.809 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.14 -39.95 94.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -58.02 -50.61 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.14 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 1.3 tppp? -58.21 -47.05 84.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.142 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 54' ' ' LEU . 78.7 mt -61.51 -46.6 89.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.581 0.229 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.03 -48.57 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 109.931 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.22 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.44 -45.69 91.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.496 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.43 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -72.3 -40.57 67.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.65 90.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.945 0.402 . . . . 0.0 110.71 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt -69.01 -31.85 70.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.753 ' HG2' HD13 ' B' ' 33' ' ' LEU . 13.9 tmtt? -63.17 -49.85 72.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -70.65 -28.02 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.744 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.99 -41.07 64.69 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 33' ' ' LEU . 58.2 tp -63.48 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.514 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.49 -43.16 86.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.89 -39.28 88.69 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 40' ' ' ILE . 51.7 tp -60.06 -44.56 94.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.288 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.3 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.12 -22.64 48.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.503 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.45 40.21 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.547 0.689 . . . . 0.0 110.772 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.907 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.0 mt -60.45 167.91 2.8 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.547 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 1.3 Cg_exo 3.69 133.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.376 1 C-N-CA 126.578 4.852 . . . . 0.0 116.745 -148.237 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.618 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 63.1 m 97.62 -16.8 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 113.481 -1.691 . . . . 0.0 109.452 -163.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.08 11.45 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.665 171.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.618 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.5 p-90 -65.14 -27.93 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -79.35 -19.13 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.375 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 29' ' ' LEU . 8.6 ttm180 -74.03 -19.01 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.843 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.631 ' HA ' HD21 ' A' ' 29' ' ' LEU . 79.7 mt -55.88 -49.88 72.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.436 -174.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.511 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.7 mmt -60.87 -42.98 98.95 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 35.5 tt0 -62.52 -55.67 25.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.06 -49.17 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.99 87.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.995 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -66.09 -53.65 35.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -62.7 -40.41 97.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.713 -177.152 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 40.0 m -67.09 -47.0 72.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 111.179 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.5 t80 -63.27 -43.48 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.348 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.73 -36.51 84.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.11 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.76 87.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.821 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -63.8 -40.19 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -66.28 -47.05 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.861 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.51 ' OE1' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.06 -35.39 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.9 tp -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 0.0 110.377 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 31.6 t70 -68.45 -44.07 75.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.61 -48.86 71.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.453 0.701 . . . . 0.0 111.224 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -66.39 -34.67 78.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -33.51 75.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.989 177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mmtt -69.77 -43.16 72.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 109.921 175.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -60.63 -45.6 93.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.119 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.559 HG23 HD11 ' A' ' 8' ' ' LEU . 54.4 m -62.36 -36.81 83.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.785 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -36.61 78.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.006 0.431 . . . . 0.0 110.636 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -24.18 67.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.892 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 64' ' ' LEU . 4.1 mm? -98.1 -40.61 8.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.99 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -69.98 -15.49 63.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.185 -172.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -59.2 -24.86 63.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.391 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 54.68 93.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -79.48 -69.46 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -161.51 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.159 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 66.89 -87.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.693 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.309 -175.759 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -140.49 145.44 36.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -103.02 115.39 30.5 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.69 126.53 8.51 Favored Glycine 0 C--N 1.309 -0.96 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.383 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.85 -20.75 66.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.94 -53.24 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.446 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -63.68 -37.32 86.9 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.278 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.81 -51.66 68.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.672 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.0 93.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.261 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -75.8 -43.73 44.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.818 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.24 -44.04 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.981 0.419 . . . . 0.0 110.024 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -61.47 -38.85 88.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.772 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.84 -46.85 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.662 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -41.37 96.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.13 -47.65 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.111 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.49 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.03 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.38 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' B' ' 23' ' ' LYS . 51.2 m -73.32 -39.61 65.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.343 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.79 75.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.687 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.2 mm? -68.13 -28.2 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.648 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' B' ' 20' ' ' THR . 11.2 pttp -69.47 -32.66 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 20' ' ' THR . 65.7 mtt -69.43 -43.44 73.38 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -47.24 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.662 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.21 -50.17 69.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 t60 -58.5 -43.66 89.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.05 -38.74 63.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.023 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' B' ' 36' ' ' GLY . 38.6 tp -66.27 -37.21 84.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -25.97 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.059 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.22 -22.34 30.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.139 0.495 . . . . 0.0 109.896 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -102.82 24.38 10.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.835 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.983 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -46.89 173.84 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 113.962 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.983 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.23 20.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.49 1 C-N-CA 126.163 4.575 . . . . 0.0 117.977 -145.884 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.55 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -128.98 134.84 48.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 159.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' B' ' 29' ' ' LEU . . . 73.01 10.37 77.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.555 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.405 ' HA ' HG13 ' B' ' 40' ' ' ILE . 33.8 p90 -54.68 -29.52 53.09 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.018 0.527 . . . . 0.0 112.306 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.2 t-20 -74.96 -18.46 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 110.371 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -102.01 3.09 38.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' B' ' 37' ' ' TRP . 59.1 mt -56.39 -50.76 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.956 -177.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.65 -34.98 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 33.0 tt0 -59.29 -55.02 40.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.903 0.383 . . . . 0.0 110.928 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.28 -51.85 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.52 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.451 ' HB1' HG22 ' A' ' 40' ' ' ILE . . . -54.74 -39.35 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.653 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 42' ' ' GLU . 17.8 mt-10 -50.94 -61.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.364 175.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 13.1 mptt -71.43 -33.72 69.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.92 -172.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -63.21 -48.39 78.52 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -67.48 -49.25 64.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.686 0.279 . . . . 0.0 110.998 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' B' ' 52' ' ' ARG . 30.7 mm-40 -59.8 -35.28 74.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.588 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.68 68.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.38 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.38 -45.15 95.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.48 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' B' ' 49' ' ' GLU . 2.1 ptm180 -64.59 -41.8 96.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.857 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -72.35 -35.19 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.539 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -49.95 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.6 t70 -67.82 -39.71 83.89 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.817 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -58.69 -48.72 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 111.068 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -63.83 -39.17 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -59.18 -49.68 76.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 25.9 mttm -60.15 -46.45 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.314 0.578 . . . . 0.0 110.48 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -59.17 -56.64 19.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.5 t -65.55 -37.95 88.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.718 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.51 -34.79 78.55 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.963 0.411 . . . . 0.0 111.045 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 15.3 m -73.18 -40.15 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.977 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -74.84 -34.4 62.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.406 ' CD ' ' HD1' ' B' ' 68' ' ' HIS . 21.8 tt0 -72.18 -17.2 61.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.561 0.696 . . . . 0.0 110.357 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 66.05 22.77 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.523 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 68.52 103.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.277 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.406 ' HD1' ' CD ' ' B' ' 65' ' ' GLU . 6.1 p-80 -67.63 165.57 16.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.203 175.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -104.89 -173.34 2.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.778 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -93.78 112.61 24.51 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.55 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 . . . . . 0 C--O 1.25 1.094 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.396 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 2' ' ' SER . 60.6 mtt . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' A' ' 1' ' ' MET . 49.8 m 68.93 11.67 8.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.986 0.898 . . . . 0.0 110.457 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.1 162.42 25.38 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.866 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.87 114.47 0.61 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.078 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.2 73.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.57 -44.7 64.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.2 0.524 . . . . 0.0 110.267 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -66.02 -34.84 79.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.423 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.441 HD12 ' HZ ' ' A' ' 57' ' ' PHE . 13.1 tp -63.64 -48.55 76.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.68 174.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.98 -47.01 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.729 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.95 86.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.119 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -65.72 -51.58 58.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.93 -42.0 83.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.469 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.78 -50.46 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -60.79 -42.55 97.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.186 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.17 -44.59 79.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -61.07 -44.36 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.216 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.32 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.904 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -60.91 -46.03 92.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.618 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.05 88.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.54 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 24' ' ' MET . 50.9 m -67.77 -38.24 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.14 92.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.58 -37.48 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.0 -39.7 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.178 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.3 mmt -63.27 -48.89 76.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.963 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.3 -38.79 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.109 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.78 -39.18 90.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -63.86 -37.35 87.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.78 -44.82 84.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 40' ' ' ILE . 58.2 tp -61.4 -30.17 70.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.12 87.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 110.43 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -85.25 -23.17 28.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.631 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 14.3 t70 -94.41 15.9 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.316 -175.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.2 mt -58.94 169.63 1.06 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.348 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 14.83 21.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 126.672 4.914 . . . . 0.0 118.68 -151.532 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 33' ' ' LEU . 14.8 m -113.15 -48.44 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.971 0.415 . . . . 0.0 109.946 169.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.68 40.28 2.58 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.224 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.451 ' HA ' HG13 ' A' ' 40' ' ' ILE . 37.7 p90 -51.53 -25.42 6.66 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -62.59 -18.82 62.91 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 111.052 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -91.51 -13.8 31.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HA ' HD21 ' A' ' 29' ' ' LEU . 63.7 mt -53.25 -52.31 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -171.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.2 ttm -77.3 -34.85 55.42 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.545 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.74 -58.41 6.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.155 0.503 . . . . 0.0 110.641 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.88 -39.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.67 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.39 -46.73 87.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.01 178.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.81 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 7.1 ttmm -66.25 -39.85 89.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.861 -176.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 m -66.68 -41.76 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.989 0.423 . . . . 0.0 110.272 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -57.03 -52.91 63.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.237 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.08 -46.99 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.758 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.07 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' B' ' 34' ' ' PRO . 32.5 m-85 -73.0 -35.38 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -64.8 -50.83 65.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.407 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.63 -39.51 91.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.418 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.61 -45.09 92.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.067 0.46 . . . . 0.0 110.913 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 t70 -71.39 -46.54 60.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.39 -36.63 80.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.354 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 8' ' ' LEU . 72.1 t80 -59.58 -41.82 91.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.538 174.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.32 -41.79 84.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.242 178.34 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.2 mmtt -60.34 -52.21 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.468 . . . . 0.0 110.098 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 t -59.99 -45.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.567 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 m -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.9 82.54 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.309 . . . . 0.0 111.556 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.4 m -61.94 -39.08 90.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.351 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.39 -18.84 27.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.457 0.646 . . . . 0.0 110.396 -177.587 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -73.28 -15.16 61.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.893 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.8 t60 65.95 43.84 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 54.5 t-80 -70.56 -7.96 47.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.336 -172.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 61.9 t60 70.27 84.04 0.14 Allowed 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -173.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 68' ' ' HIS . 54.5 t60 71.85 134.11 0.04 OUTLIER 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.818 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -117.31 113.9 22.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.009 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.498 179.512 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.94 0.4 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -81.77 147.1 29.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.971 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.26 144.72 46.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.033 0.444 . . . . 0.0 110.215 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.58 123.69 2.81 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.572 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.44 -32.16 73.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.994 0.426 . . . . 0.0 110.806 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.51 -54.88 41.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.019 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.63 -34.29 77.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 26.4 tp -65.72 -44.17 86.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.442 0.639 . . . . 0.0 110.003 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -71.12 -33.11 69.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.847 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.55 96.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.21 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.91 -49.3 78.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.662 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.53 -42.05 82.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.84 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -55.53 -49.97 71.23 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -55.68 -51.07 68.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.239 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.28 -49.77 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.314 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -56.25 -53.51 56.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.36 95.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.518 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.83 -47.11 79.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.74 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.044 0.45 . . . . 0.0 111.19 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -65.36 -39.59 92.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.5 mm? -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.309 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.37 -31.33 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.379 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.35 -48.88 71.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.174 0.512 . . . . 0.0 109.954 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.99 -38.98 93.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.79 -42.14 97.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.49 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.35 -46.47 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.694 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.57 -34.08 70.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' B' ' 40' ' ' ILE . 60.8 tp -82.87 -49.86 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.283 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.66 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.75 -35.19 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.6 -22.02 61.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 110.297 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -114.61 25.6 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.028 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.5 mt -44.52 175.68 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.424 1.09 . . . . 0.0 113.285 175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 1.028 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.98 20.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.175 4.583 . . . . 0.0 117.937 -145.41 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -129.39 145.03 51.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 161.017 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.87 11.91 58.83 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.281 -0.485 . . . . 0.0 113.768 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.642 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.5 p90 -56.5 -24.25 44.97 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -65.37 -21.2 66.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.808 0.337 . . . . 0.0 111.008 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -105.12 4.74 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.374 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' B' ' 37' ' ' TRP . 48.9 mt -54.48 -46.42 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.586 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.4 -37.29 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.735 -176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.79 -56.45 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.0 0.428 . . . . 0.0 110.567 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.95 -44.64 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.23 78.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.492 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 44.8 tt0 -56.84 -59.29 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.263 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -33.97 76.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.32 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -63.08 -43.75 97.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.237 0.541 . . . . 0.0 110.227 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.3 -44.98 74.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 47.9 mt-10 -55.67 -50.8 69.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.164 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -47.6 69.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.613 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.3 m-85 -67.7 -31.98 72.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -59.96 -55.06 38.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.97 174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.43 -32.91 74.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.659 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.62 -42.05 98.22 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.2 -40.89 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.651 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.02 -43.09 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 0.0 110.177 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.26 -43.67 97.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.145 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.43 -46.86 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -58.91 -46.56 87.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.827 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.0 t -69.92 -44.18 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.092 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -69.92 -43.25 72.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.71 72.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.049 0.452 . . . . 0.0 110.781 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 30.1 m -66.49 -38.31 86.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.419 HD13 ' O ' ' B' ' 64' ' ' LEU . 2.9 tm? -74.84 -35.61 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.0 -3.51 13.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 0.0 112.338 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -79.25 -10.7 59.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.615 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -118.26 149.78 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.428 -173.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m170 63.23 18.38 10.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -71.31 -59.26 2.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.541 -0.463 . . . . 0.0 109.882 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -169.04 173.82 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.076 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -98.44 143.1 29.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -157.72 139.4 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.21 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.86 -169.5 27.28 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.147 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.585 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -68.82 -17.75 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.55 -56.49 19.46 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.39 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.08 -38.56 91.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.316 0.579 . . . . 0.0 109.527 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 1.7 mm? -54.93 -45.83 74.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.994 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.0 tppt? -66.52 -50.35 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.18 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.027 0.441 . . . . 0.0 110.996 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -74.97 -42.53 57.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.647 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.56 -39.97 92.28 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.19 -51.83 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.46 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 85.1 mt -63.72 -40.49 96.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.945 -175.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.81 -44.03 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.675 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.6 86.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -57.62 -54.47 46.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.629 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.39 90.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.675 -178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -61.2 -43.46 98.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.151 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.16 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.062 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.33 -33.19 75.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.438 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -58.98 -51.56 69.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.709 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.3 mtm -67.75 -38.61 83.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.941 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.23 -43.21 78.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.19 -37.94 78.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -55.25 -54.15 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.729 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.44 -25.72 63.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.13 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 40' ' ' ILE . 62.0 tp -63.92 -40.77 97.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.155 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.27 -27.04 61.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.45 -25.52 60.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.589 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.97 53.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.003 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.872 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -60.59 169.89 1.63 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.422 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.872 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 11.6 Cg_exo -4.69 122.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 125.195 3.93 . . . . 0.0 116.169 -137.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 m 174.86 -53.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.175 -2.739 . . . . 0.0 106.143 174.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.39 27.16 6.42 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.904 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' HA ' HG13 ' A' ' 40' ' ' ILE . 67.8 p-90 -56.58 -30.06 62.76 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.36 -28.23 67.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.468 0.651 . . . . 0.0 109.982 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HE ' ' CD ' ' A' ' 42' ' ' GLU . 11.2 ttm180 -89.51 -3.45 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.724 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.5 mt -54.0 -44.24 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.7 tpp -61.24 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' CD ' ' HE ' ' A' ' 39' ' ' ARG . 28.6 tt0 -73.7 -50.45 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.17 -48.52 85.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.969 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.42 -50.97 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.891 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.79 -49.45 77.61 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.841 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.51 HG22 ' CE2' ' A' ' 51' ' ' TYR . 11.7 m -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.132 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 43.6 t80 -68.49 -42.11 79.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.693 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.31 -39.96 80.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.952 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.15 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CE2' HG22 ' A' ' 47' ' ' THR . 24.8 m-85 -62.94 -36.61 84.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.493 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -63.56 -48.77 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.231 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -53.27 -48.63 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.15 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 8.2 mp -58.98 -48.92 79.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 111.104 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.17 -44.75 87.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.067 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.69 -40.48 95.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.309 0.576 . . . . 0.0 110.592 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 21.4 t80 -65.14 -40.23 94.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.988 177.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -65.44 -43.27 90.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.97 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -58.33 -49.35 77.49 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.099 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 p -68.46 -43.53 76.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 57' ' ' PHE . 15.2 t -69.92 -34.88 74.08 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.034 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.23 90.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.13 0.491 . . . . 0.0 110.927 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -70.15 -33.99 72.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.24 -46.78 31.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.42 -15.0 63.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -87.05 -22.81 25.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.7 t60 62.73 14.32 7.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.47 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -99.3 103.63 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -158.47 108.63 2.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.699 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -120.49 128.66 53.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.314 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.157 0.503 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -154.8 174.09 15.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.782 ' HB2' ' HB3' ' B' ' 64' ' ' LEU . 8.1 tp10 -125.28 145.73 49.87 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.942 0.401 . . . . 0.0 110.203 -177.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' B' ' 8' ' ' LEU . . . -129.72 114.95 1.79 Allowed Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.78 71.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.35 -51.79 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.638 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.31 -38.68 84.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 4' ' ' GLY . 2.0 tt -54.86 -51.86 64.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.925 177.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -66.65 -41.59 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.733 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.24 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.324 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.04 -45.03 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.59 -41.85 91.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.134 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -57.73 -51.13 70.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.754 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' B' ' 14' ' ' LYS . 0.9 OUTLIER -58.61 -46.64 86.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.449 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.1 mm? -68.38 -39.65 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -64.88 -44.55 89.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.84 -57.47 11.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.229 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -35.71 70.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.441 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -66.3 -33.58 76.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.28 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.27 -26.02 67.14 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.64 -45.51 81.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -71.14 -42.3 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.416 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -44.14 84.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.8 tp -77.62 -47.35 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -61.67 -39.17 90.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.22 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.7 -39.79 95.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.176 0.512 . . . . 0.0 110.348 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.69 -36.78 70.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.819 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -64.35 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.473 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.35 -34.67 55.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.852 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -104.35 26.49 8.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.18 0.514 . . . . 0.0 110.59 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.3 mt -43.43 174.34 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.066 0.947 . . . . 0.0 113.45 175.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.83 19.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 1 C-N-CA 126.657 4.905 . . . . 0.0 118.597 -144.947 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -128.05 133.67 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 160.416 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.95 9.58 71.29 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.191 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.525 ' HA ' HG13 ' B' ' 40' ' ' ILE . 70.7 p-90 -58.09 -21.02 44.29 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 61.2 t30 -61.63 -25.49 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.324 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.406 ' O ' HG23 ' B' ' 43' ' ' VAL . 58.6 mtp180 -92.77 0.07 57.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.05 -175.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.525 HG13 ' HA ' ' B' ' 37' ' ' TRP . 51.1 mt -54.83 -49.27 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.497 0.189 . . . . 0.0 111.396 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 38.0 ttm -68.29 -35.27 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.918 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' B' ' 46' ' ' LYS . 26.8 tt0 -62.14 -53.15 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.297 0.57 . . . . 0.0 110.414 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.54 HG11 ' HA ' ' B' ' 26' ' ' LEU . 57.7 t -63.89 -38.29 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.827 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.38 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.521 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.69 84.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' B' ' 42' ' ' GLU . 65.9 mttt -60.17 -49.79 76.25 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 m -60.57 -49.51 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.21 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.28 -49.24 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.266 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.99 -46.39 90.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.39 -51.98 66.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.72 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -69.44 -37.01 77.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.404 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -64.82 -50.82 65.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.509 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -59.19 -39.91 84.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.627 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 40.7 tp -58.62 -49.93 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.037 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.38 -39.93 92.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -60.85 -42.66 98.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.064 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.1 mtp180 -64.34 -39.24 93.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.37 -38.53 81.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 33.8 t -63.28 -54.43 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.496 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.474 HG22 ' HA ' ' B' ' 58' ' ' ARG . 11.0 t -65.63 -35.61 81.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.562 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.54 -29.47 69.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.124 0.487 . . . . 0.0 110.874 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 18.7 m -73.26 -36.92 66.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.782 ' HB3' ' HB2' ' B' ' 3' ' ' GLU . 3.8 mm? -85.67 -31.25 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.431 -177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.37 -6.23 44.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.293 0.568 . . . . 0.0 110.86 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -86.54 -48.63 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.421 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -132.25 121.36 23.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 110.359 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -104.26 111.21 23.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.011 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 55.68 -97.21 0.07 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.529 0.518 . . . . 0.0 111.238 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 11.4 p80 173.8 -17.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.116 0.966 . . . . 0.0 108.525 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.685 175.243 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.736 0.303 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -84.62 -6.81 59.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.824 0.821 . . . . 0.0 111.017 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.7 108.26 16.87 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.783 173.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.94 122.0 7.4 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.433 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.64 -19.27 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.764 0.316 . . . . 0.0 110.354 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.45 -46.47 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.547 0.689 . . . . 0.0 110.236 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.54 -37.84 83.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.922 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.22 -37.21 80.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.606 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.38 -51.9 60.96 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.335 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.29 84.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.772 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -62.74 -53.52 53.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.61 177.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.23 -34.6 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.712 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.29 -47.82 84.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.954 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -64.42 -48.44 75.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 88.2 mt -60.41 -36.14 77.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.679 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.99 -43.26 99.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.928 0.395 . . . . 0.0 110.31 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.89 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.337 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -58.25 -51.71 68.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.572 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.46 74.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.533 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -75.02 -46.91 31.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.16 91.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.21 -38.37 90.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.006 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HG3' HD13 ' B' ' 33' ' ' LEU . 84.3 tttt -59.11 -45.44 90.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.999 0.428 . . . . 0.0 110.462 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.5 mtp -66.3 -48.05 71.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.853 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.9 -43.89 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD23 HD11 ' B' ' 33' ' ' LEU . 67.3 tp -61.0 -48.43 81.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.756 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 5.7 t60 -62.32 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.38 -44.07 92.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 43' ' ' VAL . 58.9 tp -64.83 -37.09 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.671 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' B' ' 27' ' ' HIS . . . -65.99 -26.93 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.036 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 38.7 mm-40 -70.63 -35.55 72.98 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 176.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -112.5 65.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.774 0.797 . . . . 0.0 110.35 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.058 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.7 mt -70.9 176.24 2.14 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.593 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 1.058 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 18.14 19.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.553 1 C-N-CA 127.365 5.377 . . . . 0.0 119.309 -149.548 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -111.18 133.65 53.38 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 155.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.55 42.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.053 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 2.1 p90 -56.44 -22.59 33.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 111.3 178.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -71.55 -16.83 62.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.06 0.457 . . . . 0.0 111.035 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.5 ttt-85 -98.86 1.07 45.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.309 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' ' 37' ' ' TRP . 15.6 mt -51.75 -43.25 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.817 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.23 -44.1 96.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.546 0.212 . . . . 0.0 110.914 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -59.06 -51.37 70.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 29' ' ' LEU . 32.7 t -60.3 -46.1 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.756 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.08 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.16 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.175 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.18 -44.35 83.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.472 HG21 HD22 ' A' ' 26' ' ' LEU . 40.9 m -63.92 -46.81 83.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.991 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.041 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.8 -41.8 87.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.236 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -55.87 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.989 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -64.96 -28.88 69.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.611 0.243 . . . . 0.0 111.185 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -68.41 -48.6 64.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 110.354 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' OE1' HD21 ' A' ' 15' ' ' LEU . 29.0 tt0 -61.33 -36.17 79.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 5.7 mp -58.81 -43.74 90.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.454 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.622 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 32.2 t70 -72.28 -38.23 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.11 -40.56 77.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.316 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' O ' HG22 ' A' ' 61' ' ' THR . 92.3 t80 -61.28 -44.0 97.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.112 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.794 HH21 HG21 ' A' ' 61' ' ' THR . 0.5 OUTLIER -60.48 -44.1 96.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.313 179.437 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.622 ' HE2' ' OD2' ' A' ' 55' ' ' ASP . 67.9 mmtt -57.6 -46.65 83.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.383 0.611 . . . . 0.0 109.797 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -65.59 -54.75 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.686 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.794 HG21 HH21 ' A' ' 58' ' ' ARG . 7.5 t -62.14 -39.92 94.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.77 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.35 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.966 0.412 . . . . 0.0 111.046 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -70.35 -29.85 66.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.02 -35.64 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.635 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.92 -10.51 59.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.233 0.539 . . . . 0.0 110.113 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 76.0 t60 69.81 30.51 3.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.515 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -107.94 101.61 10.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.865 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -77.64 86.86 3.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.233 0.539 . . . . 0.0 109.95 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -131.68 120.77 23.24 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.371 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -74.79 153.67 38.67 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.416 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 117.863 -1.065 . . . . 0.0 108.542 172.831 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -121.31 128.88 52.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -130.45 118.56 21.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.292 0.568 . . . . 0.0 110.77 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.2 149.71 20.85 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -17.62 63.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.581 0.229 . . . . 0.0 110.994 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.66 -53.57 55.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.68 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -33.77 74.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.748 178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.46 -45.17 84.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.347 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.23 -52.53 58.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.419 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.56 78.02 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.435 0.459 . . . . 0.0 111.111 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -67.17 -52.56 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.98 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.85 -47.49 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.48 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -61.81 -44.45 96.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' B' ' 54' ' ' LEU . 82.1 mt -68.05 -42.76 80.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.492 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.85 -51.52 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.278 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.42 92.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.39 -50.79 71.43 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.38 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 111.584 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -68.89 -44.95 72.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.52 83.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.223 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -35.14 77.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.317 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -53.74 -53.33 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.932 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.27 -39.64 71.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.819 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.75 -35.64 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.68 -41.49 83.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.282 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 36.5 t-80 -62.27 -39.2 92.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.35 -42.4 98.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.639 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.26 -41.58 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.051 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -26.13 66.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 111.114 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 27' ' ' HIS . 40.5 mt-10 -78.5 -22.3 47.62 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.309 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -98.6 24.28 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.337 0.589 . . . . 0.0 111.14 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.878 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 15.6 mt -47.71 169.48 0.12 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.329 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.878 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 1.2 Cg_exo 5.8 127.25 0.0 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.824 1 C-N-CA 125.39 4.06 . . . . 0.0 115.915 -136.25 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.675 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 30.3 m 96.4 -14.44 0.08 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 111.88 -2.418 . . . . 0.0 109.51 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.72 47.14 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 170.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.675 ' HD1' ' H ' ' B' ' 35' ' ' THR . 37.3 p-90 -108.27 -27.06 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.69 -22.22 60.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.263 0.554 . . . . 0.0 110.553 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' B' ' 43' ' ' VAL . 23.9 tpp180 -82.07 -11.79 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.47 -52.53 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.171 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 53.5 ttm -65.36 -33.03 74.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.222 0.534 . . . . 0.0 110.894 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.05 -57.81 6.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.002 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' B' ' 39' ' ' ARG . 58.6 t -63.28 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.931 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.84 94.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.226 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.48 -50.35 74.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.287 0.565 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 46' ' ' LYS . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.901 -176.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 63.4 m -67.37 -43.33 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.514 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -63.88 -46.16 86.14 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.256 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -53.8 -47.58 70.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.38 46.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -37.26 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -67.66 -46.82 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.99 -33.79 74.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.928 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.585 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.8 mp -60.54 -50.92 71.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.395 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.94 -43.7 98.3 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.94 -47.93 81.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.423 ' O ' HG22 ' B' ' 61' ' ' THR . 81.9 t80 -60.29 -42.09 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.601 ' HE ' ' HA ' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -59.89 -42.46 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.436 -179.163 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.92 -36.84 48.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 38.9 m -64.63 -43.48 93.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.738 0.304 . . . . 0.0 110.808 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.423 HG22 ' O ' ' B' ' 57' ' ' PHE . 13.7 t -73.55 -23.25 59.96 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.36 73.41 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.309 0.576 . . . . 0.0 109.894 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.2 t -63.83 -35.78 81.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.367 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.9 mm? -76.81 -36.63 56.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.13 -15.1 62.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.105 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -71.19 -21.41 62.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.772 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.29 157.5 37.99 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -68.41 93.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.835 0.826 . . . . 0.0 108.986 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -54.21 118.6 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.703 -1.135 . . . . 0.0 112.446 -171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 71.25 -69.51 0.18 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.593 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.057 -177.097 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -87.22 130.45 34.56 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 60.71 108.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.052 0.929 . . . . 0.0 110.064 -169.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -119.16 145.97 18.21 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.927 -172.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.28 -24.37 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.699 0.4 . . . . 0.0 112.037 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.76 -50.38 43.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 0.0 110.415 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 19.0 tt0 -63.09 -39.5 94.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.2 mp -58.16 -35.25 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.602 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.13 -47.76 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.303 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.99 85.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.163 0.506 . . . . 0.0 110.623 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 4.7 tmtp? -65.26 -46.78 79.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.06 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.69 -39.89 94.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.126 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 1.7 tpmt? -54.06 -44.48 71.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.094 0.473 . . . . 0.0 110.83 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -62.6 -54.16 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.961 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HD3' ' A' ' 11' ' ' LYS . 4.6 mm? -67.85 -32.0 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.802 -176.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.12 -46.97 86.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.217 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.72 89.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.327 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.96 -48.99 79.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.166 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.006 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.8 m -65.24 -34.28 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.023 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -53.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.701 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -33.13 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.8 -43.1 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.649 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 10.2 mmt -75.65 -46.42 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.659 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -58.21 -47.46 83.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.883 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 47' ' ' THR . 56.1 tp -66.73 -49.21 66.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.913 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.9 -37.69 87.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.949 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.06 -32.52 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.872 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 40' ' ' ILE . 54.0 tp -74.48 -37.75 63.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.227 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.76 61.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.294 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.65 -45.69 71.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.622 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -112.36 83.8 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.552 0.692 . . . . 0.0 110.099 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.86 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -85.05 173.01 7.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.232 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.86 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 9.0 Cg_exo 0.46 121.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 125.188 3.926 . . . . 0.0 115.737 -135.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.432 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 5.5 m 170.39 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 111.322 -2.672 . . . . 0.0 106.303 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.48 32.81 2.76 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.659 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.3 p-90 -62.09 -24.73 67.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 12.1 t30 -67.39 -21.47 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.264 0.554 . . . . 0.0 110.511 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 49.2 ttt-85 -96.94 2.77 52.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.694 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' B' ' 26' ' ' LEU . 11.6 tt -61.68 -39.95 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.1 mtp -71.63 -38.97 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.99 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.15 -52.95 63.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.78 -45.31 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.696 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -61.0 -46.71 89.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.5 -50.99 71.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.49 -44.83 93.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.334 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.534 HG21 HD22 ' A' ' 26' ' ' LEU . 62.9 m -61.44 -45.45 94.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.239 . . . . 0.0 110.752 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HA ' ' B' ' 38' ' ' ASN . 28.1 t80 -60.84 -51.97 67.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.323 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.782 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 26.6 mm-40 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.082 -178.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.66 48.14 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.537 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.77 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.005 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.782 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.05 -38.78 86.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.558 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 53.2 tt0 -71.27 -34.37 70.64 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.565 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.1 -49.88 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.368 . . . . 0.0 110.376 173.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.75 -42.17 95.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 20.1 mm-40 -55.15 -53.66 53.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.68 -43.34 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.462 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.2 mmp_? -67.34 -43.23 82.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.518 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.4 -41.82 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.816 -174.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.436 ' OG1' HD21 ' A' ' 8' ' ' LEU . 1.3 t -85.98 -19.08 30.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -176.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.99 96.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.628 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 m -66.76 -27.65 67.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.205 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.34 -43.55 50.08 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.39 -15.33 63.28 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.894 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 t60 62.19 33.74 16.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.451 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -97.85 151.51 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.483 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -98.62 156.5 16.78 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -99.03 114.45 27.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.168 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -124.19 108.64 12.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.871 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.77 -178.441 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.731 0.3 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -110.12 157.67 19.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -154.5 112.35 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.394 0.616 . . . . 0.0 110.879 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.05 169.58 40.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.272 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.28 -27.2 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.2 -53.78 13.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.577 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.99 -39.55 78.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.675 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.14 -48.54 81.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.818 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.75 -42.32 86.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.0 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.695 ' HA ' ' HE3' ' B' ' 11' ' ' LYS . 0.4 OUTLIER -66.05 -48.61 70.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 177.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.58 -43.05 84.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.827 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.89 -49.0 76.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.314 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.31 -45.52 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.855 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.22 -37.76 69.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.844 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -59.17 -52.07 67.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.103 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.73 83.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.174 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.9 -49.78 55.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.21 87.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.826 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -67.14 -35.78 80.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.291 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.45 78.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.465 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.411 HD12 HG13 ' B' ' 43' ' ' VAL . 3.7 mm? -73.47 -27.8 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -49.78 76.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.801 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 13.6 tpt -75.79 -27.65 58.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.036 0.446 . . . . 0.0 110.589 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.09 -47.69 83.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.556 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 40' ' ' ILE . 50.7 tp -62.82 -40.43 97.39 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.568 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.19 -40.38 85.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.34 -43.08 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.77 -35.12 76.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.61 62.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.772 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.55 -29.79 63.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.479 0.656 . . . . 0.0 109.914 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.99 27.28 6.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.444 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.808 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 8.9 mt -41.47 167.98 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 14.7 Cg_exo -1.17 122.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.576 0 C-N-CA 124.876 3.717 . . . . 0.0 115.255 -132.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 34' ' ' PRO . 3.1 p -179.78 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 111.756 -2.475 . . . . 0.0 106.825 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.85 39.08 2.42 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.634 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.737 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.8 p90 -54.93 -22.71 15.88 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.092 0.557 . . . . 0.0 111.963 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.659 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 8.6 t30 -58.27 -30.5 66.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.636 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.441 ' O ' HG23 ' B' ' 43' ' ' VAL . 74.2 mtp180 -97.96 4.43 49.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.661 -175.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.737 HG13 ' HA ' ' B' ' 37' ' ' TRP . 27.7 mt -56.23 -50.2 72.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.213 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.552 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 20.2 ptm -69.27 -25.49 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.486 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 31.6 tt0 -63.55 -54.11 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.194 0.521 . . . . 0.0 109.749 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 39' ' ' ARG . 15.2 t -60.63 -44.72 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.843 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.62 93.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.43 -54.15 50.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.345 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.486 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.6 mtmt -57.99 -42.05 84.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.3 m -65.05 -53.45 45.61 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.469 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 75.4 t80 -59.49 -44.45 93.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.652 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.692 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.9 tm-20 -67.18 -41.3 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.71 98.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -74.68 -29.85 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.614 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -72.48 -39.71 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.005 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -70.81 -31.02 67.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.041 0.448 . . . . 0.0 109.868 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 31.2 tp -57.94 -42.61 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.083 175.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.85 -39.55 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 27.4 mm-40 -54.91 -47.75 73.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 176.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.4 mtp180 -65.56 -41.69 92.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.178 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -70.68 -41.24 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.108 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -60.73 -50.64 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.289 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.1 t -65.22 -35.5 81.25 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.394 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.12 90.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.647 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -63.8 -30.21 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.83 -49.52 9.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.685 0.278 . . . . 0.0 111.454 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.5 -15.56 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -173.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -93.55 8.78 39.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.397 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -135.43 140.67 45.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.891 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 66.42 -177.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.674 0.75 . . . . 0.0 111.979 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -154.26 116.04 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.451 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -70.35 142.19 52.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.111 0.481 . . . . 0.0 110.925 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.53 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -150.06 -168.01 2.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -135.04 144.98 47.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' HA3' ' OE2' ' A' ' 7' ' ' GLU . . . -57.13 133.71 52.58 Favored Glycine 0 C--O 1.225 -0.425 0 C-N-CA 121.492 -0.385 . . . . 0.0 113.277 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.89 0.376 . . . . 0.0 111.462 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.9 -42.9 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' OE2' ' HA3' ' A' ' 4' ' ' GLY . 1.4 mp0 -61.29 -37.5 83.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.425 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.13 -39.21 91.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.426 0.29 . . . . 0.0 110.959 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -62.18 -50.29 72.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.35 . . . . 0.0 110.427 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.03 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' HE1' ' A' ' 57' ' ' PHE . 72.0 tttt -70.99 -48.33 53.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.32 -39.59 94.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.263 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.73 -46.19 91.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.274 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 1.2 tpmt? -57.88 -49.03 78.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.699 178.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.0 -43.77 91.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.031 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.57 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.78 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -64.41 -44.76 90.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.83 99.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.96 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -66.56 -42.91 86.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.86 91.61 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.75 -39.39 84.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.827 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -56.74 -50.09 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.65 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.1 mtp -66.92 -39.14 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.74 -45.69 88.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.62 -43.32 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 19.3 t-160 -60.78 -37.83 83.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.33 -36.5 61.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.594 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 43' ' ' VAL . 41.5 tp -64.18 -29.8 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.88 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.229 0.537 . . . . 0.0 110.83 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -84.55 -21.95 30.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.31 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.98 32.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.891 0.853 . . . . 0.0 110.102 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.979 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.8 mt -57.44 169.0 0.84 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.215 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.979 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 11.55 20.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.301 1 C-N-CA 127.287 5.325 . . . . 0.0 119.115 -151.083 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 33' ' ' LEU . 21.5 m -107.36 -59.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.055 0.455 . . . . 0.0 109.954 172.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.42 28.7 11.15 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.41 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.656 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.0 p-90 -63.51 -22.45 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 111.422 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -67.44 -20.95 65.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.402 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -104.34 5.27 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.99 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.656 HG13 ' HA ' ' A' ' 37' ' ' TRP . 23.5 mt -56.79 -46.04 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 tpp -57.28 -46.01 83.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.257 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.1 tt0 -62.15 -55.94 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG21 HD22 ' A' ' 29' ' ' LEU . 44.7 t -58.74 -45.17 91.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.916 -177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.438 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 33.4 tt0 -58.59 -51.26 70.66 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.272 0.358 . . . . 0.0 110.491 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 53.2 mtmt -59.61 -47.05 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.431 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' CE2' ' A' ' 51' ' ' TYR . 27.1 m -61.87 -43.32 99.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -65.2 -44.56 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.636 0.255 . . . . 0.0 110.539 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.99 -36.09 78.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -45.07 87.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.993 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CE2' HG22 ' A' ' 47' ' ' THR . 21.3 m-85 -61.94 -42.24 98.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.874 0.369 . . . . 0.0 110.033 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -56.78 -55.46 33.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.643 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.78 -30.63 71.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.567 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.91 -44.2 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 25.4 t70 -69.41 -35.03 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.692 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 59' ' ' LYS . 31.0 mt-10 -72.92 -22.75 60.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.867 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HE1' ' HD3' ' A' ' 11' ' ' LYS . 70.3 t80 -71.12 -40.48 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 170.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 3.9 mmp_? -56.09 -46.65 78.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.394 171.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 12.1 tmtt? -61.48 -38.08 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.32 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -66.63 -41.96 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -87.16 -35.81 18.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 66' ' ' HIS . . . -67.33 -24.78 65.77 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 122.164 -0.335 . . . . 0.0 111.704 -175.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -77.75 -21.58 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.033 0.444 . . . . 0.0 110.436 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.29 -39.79 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.104 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -77.51 -16.69 58.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 111.649 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 44.2 m-70 -132.26 -88.46 0.44 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.3 t60 177.23 -64.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.65 146.51 25.22 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -98.59 142.69 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.987 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -99.38 -69.64 0.76 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 C--O 1.246 0.911 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.544 173.547 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.018 0.437 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -134.76 131.96 38.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -154.31 133.52 12.55 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.47 144.45 40.66 Favored Glycine 0 N--CA 1.44 -1.094 0 C-N-CA 121.012 -0.614 . . . . 0.0 112.545 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.89 -18.69 65.4 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.768 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.52 -50.55 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.314 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.2 -39.03 91.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.53 -48.44 74.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.76 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.79 -51.64 67.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.217 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.68 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 36.5 ttmt -72.99 -45.52 57.46 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.706 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -54.49 -45.2 73.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 110.119 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.7 -48.55 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.528 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.65 -47.4 84.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.153 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 82.8 mt -64.57 -43.17 94.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -60.49 -44.86 95.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.005 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.82 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.757 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.5 -46.99 85.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.78 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.0 m -74.56 -36.59 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.6 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.88 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.944 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.415 HD12 HG13 ' B' ' 43' ' ' VAL . 4.1 mm? -63.92 -39.49 94.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 33' ' ' LEU . 85.1 tttt -57.64 -42.05 82.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.738 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 90.1 mtp -69.8 -52.95 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.058 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.6 -33.45 75.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.472 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.61 -36.55 78.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -65.82 -45.38 82.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -61.13 -43.56 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' B' ' 40' ' ' ILE . 52.5 tp -63.42 -44.18 95.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.453 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 27' ' ' HIS . . . -68.72 -30.75 69.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.88 -176.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.81 -34.23 21.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.374 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.77 26.39 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.143 0.497 . . . . 0.0 110.602 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.999 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -42.05 174.45 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.675 1.19 . . . . 0.0 113.941 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.999 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.62 20.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.299 1 C-N-CA 126.302 4.668 . . . . 0.0 118.445 -145.595 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -125.33 134.69 52.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 159.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 15.07 66.35 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.594 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.419 ' HA ' HG13 ' B' ' 40' ' ' ILE . 29.2 p90 -57.0 -21.12 28.17 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -63.48 -22.11 66.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.01 0.433 . . . . 0.0 110.961 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -92.86 -2.62 55.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.005 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.542 ' HA ' HD21 ' B' ' 29' ' ' LEU . 66.3 mt -57.05 -48.53 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 93.1 mmm -68.38 -37.47 80.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.079 -178.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.559 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 13.0 tt0 -65.31 -54.34 30.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.415 HG13 HD12 ' B' ' 22' ' ' LEU . 87.9 t -59.88 -48.21 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.602 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.25 -45.14 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.839 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 49' ' ' GLU . 16.3 tm-20 -59.23 -54.82 42.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.1 mtmt -65.5 -37.1 85.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -64.35 -46.07 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.327 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.617 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 84.4 t80 -61.15 -48.8 79.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.316 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 45' ' ' GLU . 15.3 mm-40 -62.16 -42.59 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.955 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.13 65.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.465 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.65 -28.68 67.92 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.541 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' B' ' 48' ' ' TYR . 32.9 mtm105 -61.49 -58.15 9.31 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.951 0.881 . . . . 0.0 109.737 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.71 -37.17 83.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.211 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.03 -45.75 91.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 0.0 110.843 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 24.3 t70 -66.38 -42.96 87.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.67 -34.69 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.3 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.88 -34.76 73.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -65.95 -37.06 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 74.7 mmtt -59.41 -46.53 88.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.36 0.6 . . . . 0.0 109.869 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -61.86 -45.2 94.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.241 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 48.0 m -59.4 -42.29 91.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.1 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.62 -32.63 73.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 25.5 m -72.22 -41.21 67.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.1 mm? -64.53 -40.73 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.658 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.02 -7.13 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.303 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -96.84 -15.01 21.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.61 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 141.27 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -78.55 141.22 38.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -83.34 84.63 7.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.14 -171.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -82.89 -46.19 13.3 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.172 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -129.87 158.28 39.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.832 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -106.6 132.07 53.02 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.282 0.563 . . . . 0.0 110.54 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.08 137.35 15.41 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.037 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.88 68.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.393 0.616 . . . . 0.0 110.957 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.02 -48.12 54.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.309 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.45 -39.88 92.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.861 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 3.0 tt -57.26 -51.74 68.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.42 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -58.57 -51.48 69.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.965 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.32 88.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.276 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 ttmt -74.33 -49.34 23.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.736 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.44 -39.07 89.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -60.26 -42.76 96.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 110.078 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.4 -44.73 70.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.764 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 74.9 mt -66.31 -41.92 88.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.93 -43.12 99.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.48 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.33 97.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.29 -47.72 83.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.32 90.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -62.63 -39.32 93.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.64 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.64 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.09 -33.84 74.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.434 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -57.77 -47.01 83.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.624 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtt -75.18 -35.34 61.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.836 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.61 -51.45 69.77 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.175 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HA ' HG11 ' A' ' 43' ' ' VAL . 61.4 tp -65.68 -44.54 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -61.74 -34.09 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.7 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.5 -49.42 75.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.097 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.21 -36.7 58.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.081 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.97 62.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.314 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.34 -37.81 74.74 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.0 90.36 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.462 0.649 . . . . 0.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.719 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 4.9 mt -67.28 -179.83 0.48 Allowed Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HA ' ' HB3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER 17.33 -86.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.699 0 C-N-CA 124.296 3.331 . . . . 0.0 114.281 -130.213 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.9 m 35.88 -87.69 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -166.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.85 42.66 1.91 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.752 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 50.1 p-90 -51.17 -27.5 8.84 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.002 0.921 . . . . 0.0 112.544 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 11.9 t30 -64.82 -20.94 66.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.862 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 ttt180 -101.11 -0.41 36.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.438 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.71 HG13 ' HA ' ' A' ' 37' ' ' TRP . 46.4 mt -53.75 -44.04 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.694 0.283 . . . . 0.0 111.405 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.4 tpp -56.79 -47.38 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.426 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 32.2 tt0 -62.51 -54.31 41.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.189 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 26' ' ' LEU . 25.5 t -55.42 -49.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.441 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.33 92.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.453 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -48.33 82.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 52.9 mtmt -60.08 -43.38 95.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -62.16 -47.88 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.9 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.5 -53.02 62.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.676 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.66 96.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.49 -39.18 74.34 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.524 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 45.1 ttt180 -66.62 -49.47 66.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.926 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -55.35 -38.87 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.228 0.33 . . . . 0.0 111.218 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -47.55 84.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.74 -42.31 97.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.755 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 12.1 mm-40 -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.598 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 67.7 t80 -62.49 -40.31 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.223 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.4 mmp_? -61.21 -46.88 88.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.244 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -64.24 -52.61 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 t -65.69 -29.19 69.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.312 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.87 93.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.339 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -68.49 -36.58 79.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.56 -31.08 67.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.211 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -77.55 -1.42 30.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.846 0.831 . . . . 0.0 109.298 173.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 67.3 34.4 4.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.983 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.503 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 78.4 m-70 -86.82 59.86 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.548 0.689 . . . . 0.0 110.775 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -81.47 76.12 8.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.827 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -153.69 136.83 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.21 -173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -134.88 158.45 44.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.118 179.326 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m 64.08 146.78 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.458 0.647 . . . . 0.0 111.389 -174.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -111.91 116.0 29.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.447 ' O ' HD13 ' B' ' 8' ' ' LEU . . . -119.47 132.56 9.59 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.729 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.79 -18.84 63.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.52 -55.55 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.93 -33.41 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.544 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.673 ' HG ' ' HZ ' ' B' ' 57' ' ' PHE . 6.6 mp -62.15 -37.93 87.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.494 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.4 -49.75 74.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.202 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -67.67 -51.26 51.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.96 -38.01 89.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.604 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.24 -42.83 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.92 0.391 . . . . 0.0 110.35 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -65.39 -42.16 92.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.362 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.0 -40.83 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 110.483 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.9 -48.54 81.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.671 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.91 98.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -59.54 -51.84 68.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.349 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -60.5 -31.08 70.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.465 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -74.97 -41.24 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.757 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.42 93.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.78 -34.13 77.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.928 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 19.7 ttpp -60.86 -42.12 97.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.097 0.475 . . . . 0.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -71.56 -41.52 68.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.42 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.49 -46.72 72.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.333 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -70.77 -34.24 71.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.863 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.35 -37.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.94 -28.44 65.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.511 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.69 -31.25 72.36 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -81.9 -33.11 30.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.642 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -89.16 20.88 3.45 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.888 0.851 . . . . 0.0 110.241 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.97 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 9.7 mt -57.06 169.05 0.73 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.036 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.97 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 13.17 20.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.33 1 C-N-CA 127.339 5.359 . . . . 0.0 118.881 -152.282 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.8 m -103.16 -54.75 2.55 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 166.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.18 35.39 5.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.776 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.604 ' HA ' HG13 ' B' ' 40' ' ' ILE . 6.9 p-90 -60.76 -18.87 57.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.9 -17.56 64.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.379 0.609 . . . . 0.0 110.792 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.604 ' HG3' HG23 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -97.7 -12.74 22.01 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.493 -174.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' B' ' 37' ' ' TRP . 83.0 mt -52.96 -53.92 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.3 mtp -68.65 -39.37 80.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.77 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.94 -44.79 79.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.894 0.378 . . . . 0.0 110.598 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' B' ' 39' ' ' ARG . 85.9 t -61.89 -52.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.01 78.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.379 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 38.6 tt0 -60.79 -57.04 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -60.2 -35.75 76.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.102 -178.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 61.7 m -61.77 -47.17 86.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 28.4 t80 -65.38 -44.67 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 55.2 mt-10 -57.75 -47.74 81.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.21 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.562 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' TYR . . . . . 0.457 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 14.3 m-85 -65.51 -38.59 90.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -61.72 -55.45 30.22 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.586 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.32 -36.51 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.085 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.65 -44.85 95.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.697 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' B' ' 58' ' ' ARG . 33.6 t70 -74.25 -30.85 62.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.51 -51.53 68.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.801 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.673 ' HZ ' ' HG ' ' B' ' 8' ' ' LEU . 71.0 t80 -62.39 -38.17 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.283 0.563 . . . . 0.0 109.637 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' B' ' 55' ' ' ASP . 58.2 ttt180 -56.07 -49.89 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.766 176.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -63.32 -42.16 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -61.97 -47.12 86.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t -80.41 -21.99 41.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.0 82.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.986 0.422 . . . . 0.0 110.721 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.09 -31.75 70.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.705 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.86 -39.7 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.997 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.75 ' HG2' ' HB3' ' B' ' 69' ' ' HIS . 4.3 tm-20 -65.74 -17.84 64.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.713 0.768 . . . . 0.0 110.555 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -67.31 -19.9 65.54 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.783 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -81.4 -68.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -151.62 144.14 24.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.089 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' HIS . . . . . 0.75 ' HB3' ' HG2' ' B' ' 65' ' ' GLU . 1.6 p80 -139.49 124.24 18.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 -177.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -105.7 121.87 44.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.495 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.646 176.09 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -124.28 159.71 29.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.199 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' HB3' HD11 ' A' ' 8' ' ' LEU . 49.5 mt-10 -122.79 121.09 35.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.201 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -86.89 122.24 6.07 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -55.6 -29.01 58.37 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.905 0.482 . . . . 0.0 111.973 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -50.96 68.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.19 -42.76 96.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.633 0.73 . . . . 0.0 109.48 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.8 mp -60.03 -47.85 84.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.802 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -66.83 -43.31 84.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.033 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.682 ' O ' ' HG2' ' A' ' 14' ' ' LYS . . . -67.44 -44.78 77.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.358 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' HG2' HD23 ' A' ' 15' ' ' LEU . 48.5 tttp -70.87 -38.45 73.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.71 -45.59 89.22 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.14 -44.98 92.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.996 0.427 . . . . 0.0 110.488 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.2 mmmm -57.69 -51.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.549 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.9 mm? -63.37 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.554 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.5 -46.39 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.463 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.29 96.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.974 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.85 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.378 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.02 91.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.079 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -64.88 -38.89 92.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.789 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.69 -37.24 70.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' B' ' 33' ' ' LEU . 60.1 tttm -55.38 -48.65 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.3 ptm -75.2 -30.23 60.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -70.12 -44.82 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.938 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 47' ' ' THR . 54.2 tp -57.67 -43.09 84.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.272 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 21.8 t-80 -63.9 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.324 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.14 -35.15 66.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.73 -38.75 87.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.311 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -67.26 -28.53 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.811 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 44.5 mt-10 -79.19 -42.04 26.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -89.02 29.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 110.594 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.991 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.9 mt -53.44 177.13 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.705 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 22.79 20.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.456 4.771 . . . . 0.0 118.475 -146.249 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.498 ' H ' ' C ' ' A' ' 33' ' ' LEU . 2.2 m -132.52 147.77 52.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.98 14.81 64.0 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.899 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -54.34 -29.2 47.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.061 0.431 . . . . 0.0 112.03 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.27 -28.18 67.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.055 0.455 . . . . 0.0 110.749 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 43' ' ' VAL . 29.9 ttt180 -85.6 -10.18 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.17 -41.22 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.662 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.562 ' HE1' ' HA ' ' B' ' 45' ' ' GLU . 2.2 mmt -64.13 -50.99 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.379 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.4 tt0 -60.3 -47.24 86.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.193 0.52 . . . . 0.0 110.69 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG2' ' A' ' 39' ' ' ARG . 87.7 t -60.51 -53.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.481 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.79 78.07 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.6 -56.68 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.578 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 50.3 mtmt -62.38 -37.22 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.541 HG21 HD22 ' A' ' 26' ' ' LEU . 85.4 m -59.55 -47.55 85.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.592 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' HA ' ' HE1' ' B' ' 37' ' ' TRP . 78.8 t80 -72.94 -48.56 35.82 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.017 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -62.73 -39.15 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -174.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.6 68.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.711 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.11 -30.35 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.24 0.543 . . . . 0.0 110.033 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.07 -46.4 61.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.61 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.39 -30.67 71.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 4.9 mp -53.5 -46.4 70.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.55 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.4 -34.14 63.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.925 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.874 0.369 . . . . 0.0 110.193 174.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 8' ' ' LEU . 87.7 t80 -59.24 -45.98 89.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.76 174.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 60.7 mtp85 -63.31 -35.07 79.14 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.683 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -58.7 -46.42 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -67.43 -59.95 2.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.856 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.9 m -59.44 -45.02 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.898 -173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.56 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.808 0.337 . . . . 0.0 111.276 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -77.11 -29.33 54.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.989 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 64' ' ' LEU . 2.0 tm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.73 -9.27 58.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.964 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 71.51 31.54 2.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.468 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 71.58 119.76 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.351 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -56.2 -64.29 0.91 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.374 -169.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -160.96 142.24 11.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.643 0.259 . . . . 0.0 110.432 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -133.56 -41.75 0.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.249 1.071 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.16 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.195 0.521 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.2 157.07 12.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.617 -176.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.64 130.23 24.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.924 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' B' ' 8' ' ' LEU . . . -154.67 158.88 28.58 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.927 -176.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -59.45 -21.04 59.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.8 -55.71 17.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.468 0.652 . . . . 0.0 110.501 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.58 -33.67 74.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.586 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 5' ' ' ALA . 76.1 mt -65.34 -40.4 93.61 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.454 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 5.7 mmtp -68.74 -35.07 76.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.36 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.511 . . . . 0.0 109.828 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -60.99 -50.01 75.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.94 -42.18 84.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.42 -43.83 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 110.273 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.23 -42.79 91.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.384 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.91 -42.5 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.636 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -60.8 -46.06 91.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.5 96.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.4 -45.48 94.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.126 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.89 98.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.717 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -61.44 -41.33 97.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.489 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.33 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.771 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.53 -29.75 70.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.14 -52.5 64.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.607 0.242 . . . . 0.0 110.528 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.1 ptm -72.95 -29.23 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.68 -52.89 54.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.139 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.39 -39.5 89.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.466 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 32.1 t-80 -53.85 -54.1 43.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' B' ' 31' ' ' GLU . 0.6 OUTLIER -73.97 -26.21 60.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.503 -176.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.498 HD22 HG21 ' B' ' 43' ' ' VAL . 50.1 tp -63.24 -47.44 82.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.187 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.09 -25.6 62.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.747 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.405 ' HB3' ' HA ' ' B' ' 28' ' ' ASP . 18.7 tp10 -76.34 -26.42 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.435 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -102.71 28.27 6.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.736 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.814 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.7 mt -41.89 168.5 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 18.9 Cg_exo -2.66 122.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 124.804 3.669 . . . . 0.0 115.02 -132.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m 156.43 -52.67 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 111.926 -2.397 . . . . 0.0 107.7 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.49 28.06 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.13 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.758 ' HE3' ' HD3' ' B' ' 34' ' ' PRO . 4.1 t-105 -59.19 -29.15 67.26 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.267 0.556 . . . . 0.0 109.986 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 63.7 t30 -64.28 -27.21 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.466 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' B' ' 43' ' ' VAL . 60.1 ttt180 -94.38 2.35 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -47.66 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.681 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 48.4 ttm -62.59 -44.61 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.818 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.686 ' HG2' ' HD3' ' B' ' 46' ' ' LYS . 10.4 tt0 -58.76 -59.2 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.498 HG21 HD22 ' B' ' 29' ' ' LEU . 93.4 t -56.25 -41.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.827 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.35 92.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.165 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.562 ' HA ' ' HE1' ' A' ' 41' ' ' MET . 33.7 mt-10 -60.82 -45.24 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.686 ' HD3' ' HG2' ' B' ' 42' ' ' GLU . 39.0 mtpt -62.85 -40.33 97.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.363 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.9 m -65.89 -48.82 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.732 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.573 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.25 -44.53 83.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.298 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 54' ' ' LEU . . . -64.8 -41.5 95.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -73.87 -30.89 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.75 -52.11 67.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.959 0.409 . . . . 0.0 109.939 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -65.67 -38.11 88.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 50' ' ' ALA . 0.4 OUTLIER -60.16 -51.25 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 -178.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 33.3 t70 -72.83 -34.93 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.632 0.254 . . . . 0.0 110.828 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.58 -47.07 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 110.615 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.14 -38.29 87.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.445 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.467 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 36.3 ttt180 -58.2 -44.56 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.067 178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.3 mmtt -62.85 -48.4 79.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.169 0.509 . . . . 0.0 110.1 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.2 t -60.87 -56.87 16.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t -62.75 -36.97 84.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.45 74.21 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.016 -176.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -74.66 -38.54 62.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.007 0.432 . . . . 0.0 110.215 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.417 ' O ' HD13 ' B' ' 64' ' ' LEU . 1.0 OUTLIER -68.28 -35.87 78.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.799 -176.684 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -84.45 6.4 23.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 74.58 17.94 2.92 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.636 0.585 . . . . 0.0 110.575 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 60.14 86.49 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.768 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -95.46 177.27 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -70.49 173.34 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.675 0.75 . . . . 0.0 112.916 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -97.14 154.62 17.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.372 -1.285 . . . . 0.0 109.64 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.138 176.563 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -115.13 -6.26 12.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.066 0.936 . . . . 0.0 110.032 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -138.91 139.1 37.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.395 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 111.97 0.64 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 170.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.96 76.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.55 -52.55 63.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.12 -38.97 90.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.77 -49.95 75.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.881 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.23 -47.89 84.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.72 94.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -65.59 -52.62 50.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.764 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 57' ' ' PHE . 64.2 tp -60.5 -39.38 87.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.481 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -59.58 -47.93 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.532 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.9 -44.46 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.382 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.81 -47.95 81.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.881 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.0 -44.47 95.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.284 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.995 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 28.4 m -64.96 -32.92 74.87 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.57 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 33' ' ' LEU . 55.3 tttp -55.09 -52.46 63.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -75.21 -30.52 60.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.134 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -43.25 76.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.545 0.212 . . . . 0.0 110.938 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.43 -40.15 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' B' ' 31' ' ' GLU . 30.1 t-80 -57.86 -47.01 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.034 177.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.72 -34.73 76.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 40' ' ' ILE . 50.2 tp -64.48 -49.75 70.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.68 -25.25 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.953 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.99 -28.14 63.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.337 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.66 25.81 5.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -46.96 173.95 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.953 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.55 19.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 1 C-N-CA 126.037 4.491 . . . . 0.0 117.878 -141.742 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.555 ' H ' ' C ' ' A' ' 33' ' ' LEU . 1.4 m -137.68 151.44 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 163.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.88 12.78 37.23 Favored Glycine 0 C--N 1.319 -0.4 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.919 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HE1' ' HA ' ' B' ' 48' ' ' TYR . 3.7 t-105 -57.4 -31.9 66.3 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.265 0.555 . . . . 0.0 110.137 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 52.2 t30 -60.23 -31.05 69.81 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.173 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -82.41 -9.0 59.62 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.514 ' HA ' HD21 ' A' ' 29' ' ' LEU . 35.9 mt -53.99 -49.34 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.102 0.251 . . . . 0.0 111.507 -177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.11 -27.87 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.48 -60.43 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.601 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -41.41 84.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.23 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.52 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.212 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.557 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 38.1 tt0 -63.47 -46.94 83.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.197 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -61.46 -45.12 95.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.52 -51.89 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.624 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.42 -41.05 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.895 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 54' ' ' LEU . . . -64.02 -49.75 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.241 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -69.21 -34.53 75.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.045 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -60.2 -55.46 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.89 -30.83 71.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.266 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 6.5 tt -62.54 -51.05 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 1.017 ' HA ' ' HG2' ' A' ' 58' ' ' ARG . 23.0 t70 -69.8 -33.96 73.07 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.847 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.21 -28.73 67.51 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.927 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.4 ' HD2' HD13 ' A' ' 12' ' ' LEU . 28.3 t80 -77.36 -40.08 45.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 1.017 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 2.1 ptm180 -71.23 -32.12 68.4 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -59.73 -43.77 94.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.024 0.44 . . . . 0.0 110.09 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 t -61.0 -51.97 66.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.089 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 58' ' ' ARG . 7.3 t -68.92 -31.67 70.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.693 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.9 78.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -65.14 -44.43 88.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.697 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.43 -27.17 62.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 110.946 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.23 -11.7 59.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.538 0.685 . . . . 0.0 109.733 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.84 31.41 16.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.107 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -121.45 120.94 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.9 m80 58.79 36.51 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -61.07 -32.22 71.87 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.212 0.529 . . . . 0.0 109.637 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -124.54 130.67 52.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.143 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.84 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' B' ' 1' ' ' MET . 45.9 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.763 0.316 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -75.52 129.72 37.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -123.47 126.62 47.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -175.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.619 ' O ' ' HG ' ' B' ' 8' ' ' LEU . . . -159.14 114.9 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.495 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' B' ' 8' ' ' LEU . . . -67.16 -29.14 68.76 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.13 -44.04 85.39 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.23 0.538 . . . . 0.0 110.447 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.07 -37.92 81.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.024 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 4' ' ' GLY . 61.0 mt -59.16 -48.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.569 176.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.27 -49.83 76.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.05 71.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -66.76 -53.46 32.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 55.5 tp -61.68 -40.83 96.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 110.148 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -48.29 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -65.02 -39.93 94.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.01 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.89 -41.13 91.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -58.72 -48.69 80.3 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.038 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.44 90.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.012 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.81 -47.73 83.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.41 81.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -39.27 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.872 0.367 . . . . 0.0 110.978 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.68 90.03 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.542 ' HB3' ' OG1' ' B' ' 47' ' ' THR . 4.3 mm? -72.62 -34.8 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.617 ' HG3' HD13 ' A' ' 33' ' ' LEU . 78.5 tttt -53.24 -53.59 48.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.426 178.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptm -69.58 -31.86 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.388 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -69.09 -43.96 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.737 0.303 . . . . 0.0 110.406 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.09 -40.17 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.498 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 23.2 t-160 -61.29 -39.69 91.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.181 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.14 -49.33 36.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.191 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.1 -33.77 71.23 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.677 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.9 tt0 -86.03 -35.53 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.116 0.484 . . . . 0.0 110.201 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.73 25.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.934 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 13.2 mt -49.74 169.38 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.698 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.9 Cg_exo -1.33 121.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 124.785 3.657 . . . . 0.0 115.36 -134.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.3 m 168.38 -51.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.227 -2.715 . . . . 0.0 105.435 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.02 36.2 2.25 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.636 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' TRP . . . . . 0.549 ' HA ' HG13 ' B' ' 40' ' ' ILE . 64.9 p-90 -64.84 -20.72 66.55 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -67.03 -17.84 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.35 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.545 ' HG2' HG23 ' B' ' 43' ' ' VAL . 28.3 ttt180 -97.36 -4.34 38.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.254 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' B' ' 37' ' ' TRP . 73.4 mt -54.99 -51.98 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.557 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 97.8 mmm -66.96 -42.73 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.346 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' B' ' 39' ' ' ARG . 72.0 t -57.58 -52.57 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.05 68.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.092 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.95 -51.88 67.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.904 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.45 -42.89 78.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.641 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.66 HG22 ' CZ2' ' A' ' 37' ' ' TRP . 17.3 m -63.97 -45.85 87.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.791 ' HA ' ' HE1' ' A' ' 37' ' ' TRP . 44.2 t80 -65.02 -44.75 88.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -49.66 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.553 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.82 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -67.8 -34.14 76.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 52' ' ' ARG . 10.0 mmt85 -62.58 -56.6 16.37 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.25 -34.98 74.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.63 -49.99 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.37 -43.24 96.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 48.9 t80 -67.36 -36.09 80.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.045 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -65.81 -44.77 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 110.107 172.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.7 m -60.67 -54.16 48.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.495 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 15.2 t -66.33 -31.97 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.41 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.43 -32.15 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.618 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.7 m -69.87 -30.77 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.675 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.94 -43.19 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.029 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.93 -17.25 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.62 0.724 . . . . 0.0 111.005 -177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -70.07 -14.83 62.85 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.176 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -130.94 85.98 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.5 0.667 . . . . 0.0 111.532 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -78.99 95.0 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -104.48 122.96 46.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.863 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.69 124.04 37.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.468 -175.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 p80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.246 -178.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -65.1 -48.78 72.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.477 . . . . 0.0 110.167 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.552 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.2 -51.56 69.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.783 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -62.37 -48.7 78.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.023 0.439 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.9 tttt -68.12 -47.69 67.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.464 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 tp -61.48 -42.01 98.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.455 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.61 -45.55 93.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.447 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -56.89 -47.61 80.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.661 175.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 85.2 mt -66.05 -39.54 90.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.377 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.14 -50.23 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.052 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.26 -50.7 70.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.74 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.462 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -64.66 -45.49 86.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.775 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.88 79.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 0.0 111.115 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 46' ' ' LYS . 90.1 mt -63.82 -41.68 97.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.788 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HG2' HD13 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -62.83 -39.02 93.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -72.36 -40.5 67.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.556 0.217 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 -33.16 72.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.39 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.94 -40.37 96.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.342 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -58.93 -38.73 79.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.409 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.64 -38.26 59.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.88 -32.26 73.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -29.81 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.61 -21.64 28.36 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.334 0.588 . . . . 0.0 110.312 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.55 29.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.903 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.933 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.1 mt -56.02 167.86 0.79 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.732 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.933 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 10.77 20.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.489 1 C-N-CA 127.41 5.407 . . . . 0.0 119.136 -153.176 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 33' ' ' LEU . 6.3 m -103.6 -55.86 2.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 167.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 28.85 13.2 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.524 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HA ' HG13 ' A' ' 40' ' ' ILE . 9.3 p-90 -60.2 -25.21 65.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.83 -14.95 60.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 110.137 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 33.8 ttt180 -105.87 1.82 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.316 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.613 HG13 ' HA ' ' A' ' 37' ' ' TRP . 77.5 mt -54.07 -51.63 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.93 -24.91 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.54 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 32.9 tt0 -62.29 -62.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.13 0.491 . . . . 0.0 110.354 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.85 -32.13 56.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.626 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.65 84.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.08 -50.18 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.216 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -59.4 -45.03 92.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.637 -175.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.8 m -63.77 -44.35 93.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.15 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.57 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.6 tm-20 -65.96 -41.28 91.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.671 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.18 95.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.72 0.295 . . . . 0.0 111.167 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.43 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 24.3 m-85 -74.77 -29.15 61.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -71.41 -39.42 71.13 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.39 -34.73 74.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.038 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 58.1 tp -60.1 -43.85 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.734 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.24 -40.08 86.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.576 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 24.4 mm-40 -57.91 -37.18 73.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -67.85 -44.15 77.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.276 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 24.8 mtm180 -61.32 -44.18 97.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.463 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 17.4 ptmt -70.02 -32.83 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.892 0.377 . . . . 0.0 110.989 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 m -75.75 -42.08 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.274 179.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.24 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -73.5 -47.42 41.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.673 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.13 -31.94 66.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.86 -38.89 92.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.199 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -65.4 -40.13 93.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.378 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.26 96.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.385 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -50.73 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.02 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 65.0 tp -60.68 -41.62 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.717 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.57 -49.27 76.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -62.09 -36.09 80.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.865 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.62 -41.68 68.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.17 -51.58 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.375 . . . . 0.0 110.17 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 27.3 tt0 -67.58 -50.75 56.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.21 89.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.88 -42.35 97.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.84 92.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 78.4 mt -69.94 -31.14 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -66.48 -47.36 73.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.83 -33.66 72.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.98 -45.99 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.17 -43.29 98.66 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.62 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 66.4 t60 -59.46 -44.59 92.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.484 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -43.09 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.045 177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' B' ' 40' ' ' ILE . 45.2 tp -66.18 -34.56 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.86 95.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 6.6 pt-20 -86.38 -21.48 27.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.195 0.521 . . . . 0.0 111.443 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -83.52 18.09 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.0 mt -48.88 173.38 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.45 19.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.388 1 C-N-CA 126.349 4.699 . . . . 0.0 117.945 -144.583 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 33' ' ' LEU . 5.4 m -130.47 154.54 47.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 159.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.37 9.47 17.15 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.815 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 24.8 p90 -55.75 -25.9 43.04 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.11 0.455 . . . . 0.0 111.614 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -72.05 -16.06 62.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.473 ' HG2' HG23 ' B' ' 43' ' ' VAL . 45.3 ttt180 -107.78 3.08 24.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.533 -176.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 61.7 mt -56.79 -51.59 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.1 ttm -66.21 -35.75 81.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE3' ' B' ' 46' ' ' LYS . 34.2 tt0 -60.86 -60.05 4.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.821 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' B' ' 39' ' ' ARG . 48.9 t -61.33 -43.52 96.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.112 -177.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.67 80.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.315 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.28 -43.12 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.26 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HG2' ' B' ' 42' ' ' GLU . 96.3 mttt -56.73 -50.08 73.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 9.6 m -63.83 -41.9 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.052 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -65.25 -46.82 79.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.872 0.368 . . . . 0.0 110.649 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.5 tp10 -61.5 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . -61.09 -47.15 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -61.81 -42.86 99.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 1.1 ppt_? -66.06 -33.11 75.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -76.1 -34.35 59.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.581 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 50' ' ' ALA . 73.9 mt -62.39 -49.57 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.095 0.474 . . . . 0.0 109.818 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' B' ' 59' ' ' LYS . 20.2 t70 -59.81 -43.04 94.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.324 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.2 -54.72 39.71 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.508 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 91.7 t80 -59.94 -39.9 87.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.228 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -61.72 -38.36 87.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.168 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 55' ' ' ASP . 0.9 OUTLIER -73.88 -42.85 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 177.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m -64.51 -48.5 74.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.679 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.968 -177.303 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.53 -55.16 12.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 111.271 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.72 -29.76 67.22 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.542 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.3 -48.88 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -61.68 -44.33 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.41 98.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.245 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -73.7 -45.23 53.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.283 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.15 -42.76 86.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -53.32 -51.21 63.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.526 . . . . 0.0 110.66 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 13.2 tppt? -60.49 -49.5 77.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.256 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 54' ' ' LEU . 93.2 mt -65.82 -42.16 90.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.266 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.67 -45.22 93.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.82 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.859 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.94 -42.85 94.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.963 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.39 92.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.799 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -64.57 -37.01 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.29 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mm? -67.43 -31.67 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.255 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG2' HD13 ' B' ' 33' ' ' LEU . 12.8 tmtt? -56.78 -44.82 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 0.0 109.673 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 44.0 ttp -75.47 -42.42 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.274 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.51 -40.95 89.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.535 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.72 -38.42 90.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 25.8 t-80 -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.93 -41.7 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 111.247 -177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 43' ' ' VAL . 36.6 tp -74.05 -29.05 61.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 110.931 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 7.0 mm-40 -80.83 -45.41 16.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.096 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -90.49 49.3 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.808 0.813 . . . . 0.0 110.529 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.9 mt -67.37 171.17 5.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.431 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.858 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 29.0 Cg_exo -3.06 121.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.495 0 C-N-CA 125.001 3.801 . . . . 0.0 115.338 -136.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m 160.99 -51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.206 -2.725 . . . . 0.0 106.147 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.0 24.99 9.09 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.188 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.639 ' HA ' HG13 ' A' ' 40' ' ' ILE . 52.7 p-90 -58.39 -24.59 60.41 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.3 0.64 . . . . 0.0 112.128 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -63.87 -24.11 67.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.056 0.455 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -104.2 5.75 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.351 -174.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.639 HG13 ' HA ' ' A' ' 37' ' ' TRP . 64.6 mt -55.72 -51.12 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.236 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.0 tpp -56.0 -45.64 78.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.002 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.8 tt0 -56.97 -54.92 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG21 HD22 ' A' ' 29' ' ' LEU . 42.6 t -58.92 -44.83 91.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.713 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.937 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.74 -47.57 85.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 54.6 mtmt -66.47 -30.57 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.227 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.535 ' O ' ' HD2' ' A' ' 51' ' ' TYR . 61.0 m -68.32 -50.19 55.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.915 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 64.6 t80 -67.63 -37.77 82.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.179 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 9.6 pt-20 -58.34 -45.6 87.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.659 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -65.94 -47.03 76.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.566 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HD2' ' O ' ' A' ' 47' ' ' THR . 47.4 m-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 16.4 tpp180 -60.75 -55.24 35.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.689 175.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 12.9 mm-40 -59.34 -37.64 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.557 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 15' ' ' LEU . 65.6 tp -60.51 -51.41 69.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.557 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 38.1 t70 -68.43 -38.89 81.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.528 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 57.1 mm-40 -55.96 -48.72 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 176.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -61.65 -41.21 97.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.295 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' ASP . 65.1 mtp180 -63.77 -37.8 88.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.585 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 32.1 mmtp -74.14 -39.87 62.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.442 . . . . 0.0 110.816 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -61.7 -50.0 74.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.196 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.408 -175.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.194 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.76 -55.35 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.566 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.16 -35.53 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' B' ' 57' ' ' PHE . 50.2 mt -63.57 -42.4 98.32 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.358 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -71.49 -36.71 71.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.35 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.84 91.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -62.47 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.66 -40.52 87.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.25 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.66 -47.91 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.569 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 14' ' ' LYS . 14.4 tppt? -56.56 -49.73 73.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.247 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.3 mm? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.55 -43.82 98.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.229 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.39 84.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.79 -43.25 99.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.466 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -64.22 -35.76 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.8 m -71.57 -34.51 70.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.164 0.507 . . . . 0.0 110.402 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.63 84.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' B' ' 25' ' ' ASP . 95.8 mt -70.6 -26.85 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.516 ' HE3' HD12 ' A' ' 33' ' ' LEU . 1.3 tmtp? -57.25 -50.84 71.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.75 -27.58 58.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.981 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' B' ' 22' ' ' LEU . 24.6 t0 -64.97 -48.36 74.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.31 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.24 -38.28 78.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.739 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -59.45 -46.54 88.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.85 -38.39 88.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.502 HD22 HG21 ' B' ' 43' ' ' VAL . 58.8 tp -66.01 -37.11 85.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.32 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.212 0.529 . . . . 0.0 110.61 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.03 -22.39 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.97 6.45 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.516 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 1.008 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.4 mt -41.54 171.37 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.59 1.156 . . . . 0.0 114.034 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 1.008 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 19.84 20.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 1 C-N-CA 126.089 4.526 . . . . 0.0 117.93 -144.506 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.3 m -138.34 153.25 48.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 162.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.72 8.44 2.87 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.425 -0.417 . . . . 0.0 113.968 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -60.67 -19.22 57.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 112.195 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.41 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 65.2 t30 -72.73 -22.84 60.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.069 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.66 -12.13 59.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.807 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.481 ' HA ' HD21 ' B' ' 29' ' ' LEU . 52.2 mt -52.47 -45.94 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.719 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -59.96 -45.7 91.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.984 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 34.1 tt0 -63.86 -55.45 22.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.502 HG21 HD22 ' B' ' 29' ' ' LEU . 40.6 t -60.42 -44.65 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.272 -177.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.61 99.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.25 -48.72 80.16 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.169 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.1 mtmt -56.93 -48.63 77.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -58.94 -47.5 84.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.14 -49.31 70.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -58.92 -36.95 75.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.664 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.2 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.188 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 22.5 m-85 -65.88 -31.46 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.977 0.417 . . . . 0.0 110.766 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.13 -55.61 20.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.521 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.41 83.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.588 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.48 -49.85 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' B' ' 58' ' ' ARG . 29.1 t70 -68.76 -29.05 67.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.33 -50.24 66.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.672 0.272 . . . . 0.0 110.887 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.449 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 10.3 t80 -72.15 -28.26 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 69.2 ttt180 -58.52 -51.23 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 172.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 58.4 mmtt -55.93 -46.45 78.49 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -60.21 -59.62 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.009 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.234 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.66 -49.66 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 0.0 110.116 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.64 -36.85 85.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.159 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.69 -48.02 81.12 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.605 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -62.36 -43.57 98.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.449 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.91 85.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.833 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.18 -48.88 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 61.6 tp -60.97 -40.32 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -57.55 -44.25 85.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.302 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -59.06 -50.75 72.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.998 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -37.81 88.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.101 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -57.08 -52.36 65.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.44 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.6 -50.25 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.131 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.96 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.324 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 m -69.37 -38.7 78.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.851 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.43 94.22 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.302 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.1 mm? -72.5 -39.4 67.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -52.75 -55.43 22.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.3 ptp -67.74 -29.89 69.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.15 -52.55 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.032 0.444 . . . . 0.0 109.862 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HG12 ' A' ' 43' ' ' VAL . 58.6 tp -64.49 -35.65 81.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.161 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.496 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 35.8 t-80 -54.43 -57.69 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.26 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -71.19 -26.35 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.512 -175.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.4 tp -66.2 -45.38 81.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.896 0.379 . . . . 0.0 110.06 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.552 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . . . -75.49 -26.88 58.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.362 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 4.0 mm-40 -57.76 -45.65 85.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.833 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.47 76.61 1.04 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.496 0.665 . . . . 0.0 109.274 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.764 HD13 ' HG3' ' B' ' 23' ' ' LYS . 5.3 mt -64.55 178.75 0.43 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.115 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 4.6 Cg_exo 7.21 122.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.875 1 C-N-CA 125.628 4.219 . . . . 0.0 115.96 -129.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 34' ' ' PRO . 1.1 p 153.72 128.62 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 110.383 -3.099 . . . . 0.0 104.823 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.94 16.26 2.86 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.606 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HA ' HG13 ' A' ' 40' ' ' ILE . 18.6 p90 -61.34 -18.56 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.306 0.553 . . . . 0.0 111.869 -177.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.48 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 27.7 t-20 -68.57 -23.86 64.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.639 0.733 . . . . 0.0 109.761 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -95.84 3.89 53.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.668 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.597 HG13 ' HA ' ' A' ' 37' ' ' TRP . 24.0 mt -55.66 -43.18 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.41 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.4 mmt -56.89 -46.29 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.978 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -58.88 6.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.993 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 26' ' ' LEU . 22.1 t -58.1 -45.5 88.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.279 -177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.6 98.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.085 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.96 -47.9 78.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.19 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -60.99 -41.88 97.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.127 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 62.0 m -61.3 -49.73 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 87.0 t80 -65.98 -42.82 89.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.851 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.04 -54.67 44.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.734 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.93 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.284 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.96 -41.18 87.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.04 -49.91 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.139 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -54.72 -39.18 67.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.878 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.48 -50.01 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 109.948 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 29.1 t70 -65.71 -32.95 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -71.17 -36.97 72.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.891 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 61.2 t80 -67.24 -35.38 79.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HA ' HG22 ' A' ' 61' ' ' THR . 12.6 ttm180 -60.78 -42.21 97.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.684 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.5 mmtm -54.13 -48.89 70.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.392 0.615 . . . . 0.0 109.516 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.4 m -62.32 -53.38 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.913 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 58' ' ' ARG . 14.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.449 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.32 -46.46 60.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.56 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.52 -49.08 71.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.509 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 61' ' ' THR . 3.6 tt -57.08 -51.2 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.905 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.17 -45.93 82.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.9 85.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.74 -45.21 68.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.72 -42.1 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.321 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.16 -52.14 66.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.63 -45.93 92.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.135 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' LEU . 88.7 mt -67.31 -45.01 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.715 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -61.29 -44.77 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.11 89.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.52 -44.6 86.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -27.45 68.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.936 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.522 ' HA ' ' HZ3' ' B' ' 23' ' ' LYS . 55.1 m -75.09 -46.09 36.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.711 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 24' ' ' MET . . . -60.33 -53.67 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.612 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -65.22 -31.38 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.354 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.764 ' HG3' HD13 ' A' ' 33' ' ' LEU . 7.6 ttpm? -63.76 -44.22 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.279 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 23.9 ptp -72.04 -34.53 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.835 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -50.31 65.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.889 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.37 -40.71 95.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 3.7 t-160 -59.49 -51.07 71.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.481 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.02 -32.73 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.16 -40.09 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.6 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.859 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.35 -27.86 63.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.272 0.558 . . . . 0.0 110.895 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.58 -22.16 59.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.035 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.41 25.99 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.195 0.521 . . . . 0.0 110.373 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 1.024 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.3 mt -45.86 174.76 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.409 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 1.024 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 24.05 21.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.424 1 C-N-CA 125.789 4.326 . . . . 0.0 117.787 -146.413 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -126.67 136.0 51.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 159.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.24 21.12 63.79 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.51 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.515 ' HA ' HG13 ' B' ' 40' ' ' ILE . 41.5 p90 -58.32 -22.83 54.53 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 67.2 t30 -65.49 -21.63 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.902 -0.499 . . . . 0.0 110.548 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -92.48 -2.85 55.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.515 HG13 ' HA ' ' B' ' 37' ' ' TRP . 69.5 mt -53.5 -51.9 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 86.4 mtp -72.1 -44.69 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 30.1 tt0 -61.36 -46.96 88.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.809 0.337 . . . . 0.0 110.772 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.2 -42.19 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.285 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.47 93.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.992 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' B' ' 41' ' ' MET . 79.5 mt-10 -53.2 -57.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.098 0.475 . . . . 0.0 110.783 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' B' ' 42' ' ' GLU . 11.9 mptt -66.07 -35.86 81.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.041 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' B' ' 22' ' ' LEU . 39.2 m -64.91 -50.73 65.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.48 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 62.2 t80 -66.58 -41.07 89.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 9.9 tp10 -53.67 -52.34 60.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.05 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.74 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.93 -29.51 69.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.619 0.247 . . . . 0.0 111.662 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.96 -47.1 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 109.985 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 49' ' ' GLU . 87.6 mm-40 -59.92 -38.46 82.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.731 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 2.1 mm? -59.83 -48.59 81.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.79 175.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.96 -50.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.72 -41.61 97.86 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 120.932 0.396 . . . . 0.0 110.69 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.75 -46.15 91.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.832 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -63.31 -34.73 78.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.342 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -69.91 -41.35 74.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -67.59 -43.4 80.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.182 0.515 . . . . 0.0 109.942 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.664 HG23 HD11 ' B' ' 8' ' ' LEU . 98.4 m . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.91 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.117 0.484 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.17 -53.44 55.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.62 -34.62 77.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.901 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -54.27 -51.74 63.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.059 175.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -69.45 -34.77 74.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.085 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.37 85.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 82.7 tttt -67.93 -42.01 81.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.889 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.55 -42.06 99.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.203 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -52.87 -48.17 67.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.08 0.466 . . . . 0.0 110.527 175.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.15 -54.9 41.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.214 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 54' ' ' LEU . 98.4 mt -64.53 -42.12 95.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.836 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -60.98 -46.0 92.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.472 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.32 92.89 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.68 -47.34 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.31 87.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 m -67.37 -40.35 85.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.84 83.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.053 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -70.02 -31.9 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 39.6 ttmt -55.73 -48.81 74.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -68.22 -37.6 81.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.756 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.63 -50.75 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.394 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.77 -40.89 83.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' B' ' 31' ' ' GLU . 21.1 t60 -60.47 -42.83 97.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.491 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.88 -42.56 85.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.44 -36.08 76.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.091 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.26 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.158 0.504 . . . . 0.0 110.676 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.59 -40.57 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.388 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.38 65.36 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.015 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.897 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -65.97 172.9 2.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.677 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.897 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 13.53 -166.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 125.898 4.399 . . . . 0.0 116.595 -141.132 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.0 m 72.39 -56.3 0.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.158 -166.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.32 25.37 12.51 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.211 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' HA ' HG13 ' A' ' 40' ' ' ILE . 21.8 p90 -56.64 -25.51 53.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.046 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.26 -25.61 67.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.615 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG2' HG23 ' A' ' 43' ' ' VAL . 49.3 ttt180 -106.13 4.33 28.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.971 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.546 HG13 ' HA ' ' A' ' 37' ' ' TRP . 69.3 mt -53.52 -51.27 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.632 0.253 . . . . 0.0 111.68 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 52.8 ttm -68.56 -43.56 76.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.955 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.96 -47.92 79.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 39' ' ' ARG . 89.4 t -62.26 -48.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.51 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.91 74.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.661 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 41' ' ' MET . 74.3 mt-10 -50.71 -60.75 2.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 122.877 0.471 . . . . 0.0 111.35 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.34 -28.16 62.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.02 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 m -62.42 -54.26 42.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 84.2 t80 -65.29 -44.65 87.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.43 -32.72 70.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.74 -52.74 40.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.578 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -59.83 -39.5 85.31 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.868 0.366 . . . . 0.0 110.603 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.05 -56.03 27.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.828 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.99 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.557 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.0 tt -63.2 -48.24 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.824 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' ARG . 37.8 t70 -71.81 -31.25 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.651 0.263 . . . . 0.0 111.077 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.28 -41.9 93.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.37 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 49.7 t80 -69.58 -38.32 77.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.527 175.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 45.0 ttt180 -57.23 -46.23 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.18 175.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -59.03 -48.96 79.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.63 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -60.91 -45.12 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.803 -178.619 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.49 -56.19 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.763 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.45 -32.98 70.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.21 -36.63 82.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.33 -47.94 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.291 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.29 93.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.729 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -52.95 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.358 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.333 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.5 -47.05 80.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -60.83 -51.16 70.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.732 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' B' ' 54' ' ' LEU . 79.4 mt -65.68 -45.24 83.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.707 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.0 111.09 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.75 -40.56 72.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.724 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.05 -44.27 85.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.6 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.041 0.448 . . . . 0.0 110.881 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -67.2 -38.4 85.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.64 79.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' B' ' 46' ' ' LYS . 3.6 mm? -63.14 -26.5 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.486 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -55.69 -54.9 38.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.857 0.36 . . . . 0.0 110.656 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.12 -24.41 58.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.34 -36.66 68.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.036 0.446 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.428 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.6 tp -81.19 -45.5 16.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.16 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -50.97 -54.82 21.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.88 -25.53 59.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.946 -173.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.88 -40.74 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.035 0.445 . . . . 0.0 110.201 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -74.81 -25.13 58.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.539 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 39.5 tt0 -78.05 -43.71 28.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.691 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.12 27.23 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.752 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.797 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.0 mt -40.8 169.5 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.797 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 5.3 Cg_exo 2.63 122.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.624 0 C-N-CA 125.08 3.854 . . . . 0.0 115.609 -131.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 34' ' ' PRO . 1.4 p 175.15 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 111.411 -2.631 . . . . 0.0 106.55 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.61 43.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.372 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.524 ' H ' ' HE3' ' B' ' 37' ' ' TRP . 5.7 p90 -55.26 -27.57 47.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.052 0.541 . . . . 0.0 111.725 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.402 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.3 t-20 -65.45 -26.03 67.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.511 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -88.82 -3.49 58.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.332 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.45 -44.24 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.08 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 95.5 mmm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.83 -53.29 59.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.351 0.596 . . . . 0.0 110.132 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.488 ' HA ' ' HE2' ' B' ' 46' ' ' LYS . 40.9 t -64.54 -42.83 96.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.887 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.86 79.34 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.962 0.41 . . . . 0.0 110.357 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 49' ' ' GLU . 34.2 mt-10 -60.78 -57.8 11.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.716 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' B' ' 22' ' ' LEU . 50.4 mtmt -58.88 -50.51 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.619 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -66.13 -46.52 77.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.538 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.01 -44.97 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 45' ' ' GLU . 2.4 tm-20 -59.11 -48.42 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.852 -178.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.07 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.485 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.6 m-85 -66.4 -40.67 89.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -61.49 -48.73 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.6 -37.45 84.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' B' ' 15' ' ' LEU . 66.4 tp -59.13 -49.73 76.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.591 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 27.2 t70 -67.93 -41.94 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.9 -45.1 94.1 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.652 0.263 . . . . 0.0 111.547 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -61.43 -37.24 82.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' B' ' 61' ' ' THR . 0.0 OUTLIER -64.69 -35.76 82.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.727 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.5 mmtt -63.53 -49.79 72.1 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.219 0.533 . . . . 0.0 109.629 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -62.23 -38.71 90.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.749 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.526 HG22 ' HA ' ' B' ' 58' ' ' ARG . 14.8 t . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.343 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.51 -45.33 83.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.405 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.99 -36.76 75.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.051 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 3.7 mm? -57.66 -48.75 78.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.391 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -66.15 -40.19 90.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.98 0.419 . . . . 0.0 110.873 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -66.71 -46.57 75.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.889 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 61' ' ' THR . 54.1 tp -59.01 -44.48 91.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.856 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.85 -51.65 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.696 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.43 -49.64 75.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.808 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.03 -42.06 97.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.678 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 26.2 t-20 -60.6 -50.9 71.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.014 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.54 91.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.21 -47.74 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.21 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.7 m -60.34 -45.6 92.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.184 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.35 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.152 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.326 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' B' ' 33' ' ' LEU . 34.3 ttpt -66.42 -44.81 81.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.78 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.28 -48.7 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -63.26 -35.78 81.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.75 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.92 -38.98 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.89 -34.44 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.792 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -70.39 -25.55 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.501 . . . . 0.0 110.533 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.614 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.99 76.06 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 0.0 109.762 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.875 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.1 mt -87.66 171.03 10.38 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.084 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.875 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 8.9 Cg_exo -3.65 121.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.782 0 C-N-CA 125.006 3.804 . . . . 0.0 115.399 -136.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 175.32 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 111.065 -2.789 . . . . 0.0 106.194 -178.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.85 32.83 5.17 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.967 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.2 p-90 -56.51 -21.79 28.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.21 -32.01 71.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.085 0.469 . . . . 0.0 109.97 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 43' ' ' VAL . 39.7 ttt-85 -78.69 -7.89 58.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.627 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG13 ' HA ' ' A' ' 37' ' ' TRP . 35.5 mt -52.91 -41.94 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.044 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' B' ' 45' ' ' GLU . 97.1 mmm -65.86 -51.53 58.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 1.5 mp0 -55.54 -44.8 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.604 -177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 39' ' ' ARG . 51.7 t -66.27 -53.28 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.349 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.31 71.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.33 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' MET . 47.7 mt-10 -58.59 -57.29 13.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.203 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -73.97 -29.3 61.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.234 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.9 m -66.15 -51.45 57.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.416 0.151 . . . . 0.0 111.002 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -64.6 -48.85 73.39 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.565 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 57.9 mm-40 -59.62 -32.19 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -47.83 60.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.646 0.26 . . . . 0.0 110.513 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.25 -33.65 73.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 14.6 ptm180 -66.64 -41.59 88.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.279 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -37.49 70.91 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 16' ' ' ASN . 6.3 tt -57.52 -51.65 68.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.991 176.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 24.9 t70 -66.84 -35.35 79.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.658 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.77 -48.41 77.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.749 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.493 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 2.4 t80 -65.4 -36.25 83.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 58.5 ttt180 -56.41 -51.46 68.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.234 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -69.34 -32.04 70.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -178.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 m -68.59 -48.44 64.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.766 HG21 HD22 ' A' ' 12' ' ' LEU . 9.7 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.045 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.5 -50.68 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.43 -39.42 94.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.949 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.19 -51.5 66.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.31 -41.55 98.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.685 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.818 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.32 -44.94 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.2 tp -54.75 -46.23 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.891 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -55.03 -49.67 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.773 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -63.64 -48.3 77.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.193 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.502 ' HG ' HE22 ' B' ' 53' ' ' GLN . 4.0 mm? -68.25 -38.08 81.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.575 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.95 -46.42 90.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.04 90.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.58 -51.81 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.872 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.63 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.998 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -62.43 -45.91 90.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.285 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -48.98 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.328 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.4 mm? -62.69 -36.85 84.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.772 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.578 ' HG2' HD13 ' A' ' 33' ' ' LEU . 39.1 ttpt -56.0 -55.06 37.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 111.229 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 44.1 mtt -75.51 -28.44 59.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.97 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.87 -39.91 94.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.3 -39.01 93.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.497 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 19.1 t-80 -57.17 -51.93 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.676 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -26.17 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.3 -38.48 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.111 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.837 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.4 -26.64 66.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.0 110.614 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -74.41 -22.1 59.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.71 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -113.7 24.65 11.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.686 0.755 . . . . 0.0 110.192 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.6 mt -53.95 169.0 0.38 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.568 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 12.45 19.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 1 C-N-CA 127.403 5.402 . . . . 0.0 119.208 -150.367 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 33' ' ' LEU . 20.2 m -100.2 -53.6 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 165.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.82 37.35 3.87 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.478 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.686 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 8.4 p-90 -68.3 -7.81 34.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.945 0.403 . . . . 0.0 111.718 -176.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -77.3 -8.34 57.47 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.754 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.403 ' HB3' HG23 ' B' ' 43' ' ' VAL . 95.7 mtt180 -101.74 -7.72 22.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.608 HG13 ' HA ' ' B' ' 37' ' ' TRP . 64.0 mt -52.11 -54.01 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 81.7 mtp -77.95 -31.74 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -57.82 7.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' B' ' 39' ' ' ARG . 78.2 t -60.37 -48.03 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.616 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.96 91.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.386 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.5 tt0 -58.08 -55.03 40.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.393 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.573 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -63.64 -35.87 81.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.001 -178.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 71.4 m -60.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.01 -44.09 85.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 56.4 mt-10 -54.24 -46.08 72.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.001 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.308 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -67.04 -37.47 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 111.406 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -64.04 -52.02 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.502 HE22 ' HG ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -66.19 -32.65 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.11 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 51.5 tp -60.99 -43.94 98.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.491 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -68.62 -38.22 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -61.62 -42.03 98.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 110.296 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.53 -47.08 86.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.595 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' B' ' 61' ' ' THR . 21.8 mtp180 -68.71 -25.76 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.372 0.606 . . . . 0.0 110.79 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.24 -42.1 60.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.03 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -70.78 -36.68 73.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.905 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.603 HG22 ' HA ' ' B' ' 58' ' ' ARG . 6.6 t . . . . . 0 C--N 1.324 -0.542 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.145 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -62.25 -52.96 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.841 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.2 -42.27 90.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.46 -51.24 70.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.83 -178.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -71.81 -32.77 67.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.93 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.01 76.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.945 0.403 . . . . 0.0 110.806 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 15' ' ' LEU . 33.3 tttp -74.94 -39.49 61.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.14 -40.18 84.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.327 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -52.37 -48.9 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.32 -52.84 43.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.378 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 ' HB3' HD13 ' A' ' 54' ' ' LEU . 4.3 mm? -61.5 -40.35 94.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.768 -176.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -62.17 -52.72 62.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.437 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.72 96.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.935 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.02 -51.09 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.742 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -61.2 -45.34 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.523 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -54.94 41.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.067 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.1 mm? -64.98 -37.58 88.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.647 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 51' ' ' TYR . 33.3 ttmt -55.26 -51.56 66.27 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.4 ptp -75.43 -38.18 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.59 -45.1 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.971 -174.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.18 -35.3 78.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' HD2' ' HB1' ' B' ' 30' ' ' ALA . 15.6 t-160 -56.29 -50.78 70.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.497 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.21 -32.34 61.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.79 -40.23 96.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 -26.73 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -84.95 -22.93 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -90.71 56.97 3.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.978 0.894 . . . . 0.0 109.663 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.958 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -63.96 168.76 5.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.906 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.958 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 9.98 20.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.392 1 C-N-CA 127.778 5.652 . . . . 0.0 119.685 -154.269 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 33' ' ' LEU . 28.5 m -105.66 -69.07 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 168.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.04 0.78 89.58 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.685 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.696 ' HA ' HG13 ' A' ' 40' ' ' ILE . 6.4 t90 -53.03 -32.92 49.37 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.493 0.717 . . . . 0.0 111.454 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.11 -26.64 39.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.424 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -115.23 2.93 14.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.75 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.0 mt -57.24 -48.65 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.0 ttm -59.95 -40.67 89.79 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.9 tt0 -65.07 -49.62 69.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.313 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.0 -47.78 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.123 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.26 87.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -56.21 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.554 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.9 mtmt -67.24 -34.1 76.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.651 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 45.4 m -62.51 -47.75 82.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 110.152 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.6 -47.57 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.198 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.71 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 5.2 mm-40 -62.01 -44.62 96.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.19 98.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.392 . . . . 0.0 110.612 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' HE1' ' HE2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -73.07 -38.45 66.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -178.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.71 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 2.9 ptm180 -66.92 -37.96 85.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.43 -40.4 77.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.358 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 15' ' ' LEU . 65.8 tp -62.99 -45.1 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.04 -45.38 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -59.87 -43.04 94.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.146 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.81 -42.05 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 110.314 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -66.17 -41.67 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -60.66 -46.8 88.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.296 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -60.31 -50.96 71.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.271 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.045 -177.628 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.65 -55.55 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.419 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 11' ' ' LYS . 0.2 OUTLIER -60.78 -40.91 94.34 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.431 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 2.0 tt -61.12 -46.77 89.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.011 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 1.4 tptm -76.29 -42.47 45.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.289 -175.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.56 81.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.842 0.353 . . . . 0.0 110.341 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' B' ' 7' ' ' GLU . 12.8 tttp -73.53 -43.77 59.16 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.448 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.65 -47.11 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 2.1 tppp? -59.38 -49.07 79.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.483 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -59.85 -51.83 68.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.465 HD23 ' HG2' ' B' ' 11' ' ' LYS . 4.1 mm? -64.17 -42.96 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.052 0.453 . . . . 0.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.6 90.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.764 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.47 -46.54 85.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.62 96.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.8 m -64.7 -33.5 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.63 80.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.261 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -66.3 -33.15 75.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -54.56 -50.71 67.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.684 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.06 -32.34 61.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.341 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -45.95 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.645 0.26 . . . . 0.0 110.716 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 47' ' ' THR . 49.1 tp -69.65 -43.84 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 12.7 t-80 -65.47 -39.47 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.119 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.17 -45.05 92.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.201 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 40' ' ' ILE . 20.9 tp -64.12 -36.26 83.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.877 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 27' ' ' HIS . . . -66.36 -38.52 87.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.756 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 19.5 mm-40 -73.5 -24.98 60.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.223 0.535 . . . . 0.0 110.242 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -99.22 26.75 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.144 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.929 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.4 mt -42.18 167.84 0.06 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.96 172.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.4 OUTLIER 8.89 134.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.279 1 C-N-CA 126.624 4.883 . . . . 0.0 116.921 -147.368 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.707 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 63.1 m 96.92 -45.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 113.37 -1.741 . . . . 0.0 109.837 -165.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 29' ' ' LEU . . . -88.44 -5.36 75.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.348 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.707 ' HD1' ' H ' ' B' ' 35' ' ' THR . 41.6 p-90 -65.13 -25.09 67.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.607 -174.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.3 -18.89 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.477 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -98.36 -5.79 32.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.663 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.58 HG13 ' HA ' ' B' ' 37' ' ' TRP . 47.4 mt -58.76 -51.74 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 46.4 ttm -61.24 -44.59 97.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.52 -48.79 66.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.067 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.69 -47.15 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.338 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.47 89.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.4 -55.84 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.75 -36.96 84.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.379 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.455 HG21 HD22 ' B' ' 26' ' ' LEU . 36.3 m -64.28 -48.05 77.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.774 0.321 . . . . 0.0 110.331 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.5 -46.8 88.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.084 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.85 -48.85 78.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.962 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.91 92.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.322 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.77 -32.12 67.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.475 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 17.6 ttm-85 -67.21 -46.36 74.08 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -63.05 -33.77 76.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.048 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.04 -45.56 80.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.96 98.91 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 39.2 mm-40 -62.93 -43.95 97.4 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.311 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 57.2 t80 -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -63.04 -47.77 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.991 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -54.66 -46.18 73.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.324 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.7 m -65.7 -50.45 64.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.376 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.252 -174.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.137 0.494 . . . . 0.0 111.513 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.24 -35.52 76.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.919 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 25.0 tp -61.08 -40.8 95.09 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -69.42 -38.25 77.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.73 73.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 15' ' ' LEU . 5.0 tmtm? -65.29 -47.37 76.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.534 175.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 60.0 tp -61.93 -40.98 97.37 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -52.46 -49.52 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.57 -50.82 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD11 ' HE3' ' A' ' 11' ' ' LYS . 81.9 mt -64.19 -45.99 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.404 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.65 -50.7 67.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.039 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.1 85.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -66.14 -49.13 68.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.67 96.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.313 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -68.64 -37.14 79.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.111 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -53.27 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -29.83 70.86 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' HE1' ' A' ' 51' ' ' TYR . 89.0 tttt -56.58 -43.92 80.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.409 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 25.5 mmt -76.32 -37.76 56.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.99 -43.98 98.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.461 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.15 -45.1 94.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.188 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -64.38 -38.45 91.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.506 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.18 -42.21 96.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.279 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 40' ' ' ILE . 41.1 tp -63.52 -35.93 82.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.45 85.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -22.16 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -90.01 13.78 13.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.472 0.653 . . . . 0.0 110.701 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.769 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.7 mt -56.71 173.58 0.3 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.841 169.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.769 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 10.53 127.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 124.897 3.731 . . . . 0.0 114.953 -131.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 56.3 m 96.52 -14.62 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 112.688 -2.051 . . . . 0.0 109.72 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.01 27.07 7.6 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.939 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 34' ' ' PRO . 98.1 m95 -71.25 -37.9 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 111.69 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.82 -12.98 61.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.986 0.422 . . . . 0.0 111.622 -169.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -95.69 -9.48 31.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.979 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.516 ' HA ' HD21 ' A' ' 29' ' ' LEU . 48.0 mt -53.76 -51.58 42.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.272 -174.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 1.0 OUTLIER -58.85 -43.46 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -64.99 -58.57 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.186 0.517 . . . . 0.0 110.771 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.71 -39.28 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.209 -176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.2 94.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.438 0.161 . . . . 0.0 110.797 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.6 -56.61 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.87 -47.2 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.196 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.405 HG22 ' CZ2' ' B' ' 37' ' ' TRP . 18.0 m -67.27 -44.78 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.874 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 75.4 t80 -60.85 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.935 0.398 . . . . 0.0 110.387 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 2.9 mm-40 -66.22 -42.4 88.77 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.994 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.34 93.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' HE1' ' HD2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.46 -32.82 74.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.037 0.446 . . . . 0.0 109.832 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 28.5 ttt180 -70.34 -42.78 71.45 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.878 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 27.3 mm-40 -59.83 -32.04 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.318 . . . . 0.0 110.57 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.83 -37.13 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 110.048 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.45 -37.76 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.492 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -55.29 -40.14 70.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 109.777 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 66.8 t80 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.081 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -60.68 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -59.08 -51.63 69.19 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.647 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -62.77 -49.56 74.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.525 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -175.55 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.537 0.208 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -60.61 -49.87 75.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.916 0.388 . . . . 0.0 110.994 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.35 -35.79 80.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.95 -48.43 71.34 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.14 -40.01 93.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.36 90.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.87 -47.83 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.546 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 -42.37 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.94 -50.27 73.12 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.29 -48.66 80.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.416 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.92 -50.99 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.014 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.12 99.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.353 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -61.57 -47.97 83.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.22 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.879 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 39.6 m -60.35 -42.17 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.968 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.19 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -33.28 74.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.436 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' B' ' 23' ' ' LYS . 35.5 ttpt -53.0 -51.27 62.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 0.0 110.551 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -76.1 -35.51 59.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.626 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.02 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.057 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tt -63.7 -49.75 71.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -66.18 -36.27 82.64 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.85 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.64 -42.45 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.389 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.08 -44.89 83.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.866 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.5 68.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.367 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.3 -25.46 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.251 0.548 . . . . 0.0 110.014 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -98.88 25.22 6.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.357 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 1.012 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.0 mt -43.83 174.13 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 1.012 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.04 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.395 1 C-N-CA 126.106 4.538 . . . . 0.0 118.014 -145.323 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -129.32 134.43 47.91 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 159.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.77 72.51 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.258 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' B' ' 33' ' ' LEU . 21.8 t-105 -58.09 -36.73 73.29 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 111.039 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.406 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 54.6 t30 -64.8 -22.39 66.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.533 . . . . 0.0 110.985 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' HG23 ' B' ' 43' ' ' VAL . 18.4 tpt180 -78.15 -16.39 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.495 HD11 HD21 ' B' ' 33' ' ' LEU . 56.6 mt -53.67 -51.79 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.388 -175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 55.9 tpp -58.22 -52.77 64.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.399 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 29.4 tt0 -56.97 -54.21 49.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.483 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG3' ' B' ' 39' ' ' ARG . 68.0 t -62.51 -46.89 95.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.2 -53.26 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.873 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.4 mtmt -67.34 -33.08 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.218 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.1 m -66.73 -44.05 82.57 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.297 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.37 -51.73 67.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.045 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.37 -37.54 78.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.894 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.71 72.14 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -65.96 -35.43 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -60.36 -52.67 64.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.368 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -62.81 -30.94 71.86 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.331 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.921 0.391 . . . . 0.0 110.232 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.37 -42.93 78.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.35 -28.5 68.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 111.32 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.4 -41.35 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' B' ' 61' ' ' THR . 16.7 mtp180 -64.08 -38.77 92.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.762 176.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -55.66 -51.76 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.229 0.538 . . . . 0.0 110.121 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.6 t -59.22 -55.35 36.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.232 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.402 HG22 ' HA ' ' B' ' 58' ' ' ARG . 11.3 t . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.704 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.218 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.336 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.43 -39.04 89.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.569 0.699 . . . . 0.0 109.786 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 24.9 tp -60.58 -51.3 70.01 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -70.04 -36.91 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.081 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.58 90.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -70.95 -40.79 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.879 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.62 -43.11 89.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -53.19 -53.56 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -55.51 -53.14 60.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.749 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.0 mm? -62.71 -37.94 88.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.01 -47.38 80.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.62 80.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.23 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.378 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.24 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 m -63.86 -38.93 92.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.934 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.2 82.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.038 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.7 mm? -81.99 -28.98 32.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.318 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -43.66 97.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -75.2 -26.27 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.755 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.94 -49.34 58.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 109.864 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 HD11 ' B' ' 33' ' ' LEU . 66.1 tp -64.01 -42.76 97.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.436 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -59.42 -39.33 83.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.69 -44.09 67.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.59 -32.24 67.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.06 66.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 -44.26 12.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.289 0.566 . . . . 0.0 109.517 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -88.86 66.75 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.839 0.828 . . . . 0.0 109.642 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.873 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.4 mt -87.32 171.18 10.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.0 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.873 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 12.4 Cg_exo -2.3 120.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 124.822 3.681 . . . . 0.0 115.323 -136.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 167.82 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.393 -2.64 . . . . 0.0 106.499 -176.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.83 31.72 2.79 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 114.119 -1.401 . . . . 0.0 111.279 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.605 ' HD1' ' HA ' ' A' ' 34' ' ' PRO . 60.5 p-90 -63.72 -13.89 47.47 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.039 0.536 . . . . 0.0 112.35 -176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 62.5 t30 -68.18 -20.95 64.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.376 0.608 . . . . 0.0 109.853 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -97.02 4.83 51.28 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.189 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.537 HG13 ' HA ' ' A' ' 37' ' ' TRP . 47.3 mt -57.84 -44.86 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.4 tpp -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.903 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 25.6 tt0 -61.47 -55.35 32.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.286 0.565 . . . . 0.0 110.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.555 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 40.7 t -61.06 -39.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.149 -177.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -59.9 -47.06 87.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.042 0.448 . . . . 0.0 110.493 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.61 -50.61 72.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.582 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 43' ' ' VAL . 54.8 mtmt -56.51 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 m -65.17 -43.93 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.4 t80 -68.95 -41.62 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.731 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.55 -49.57 74.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.39 68.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.509 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -66.56 -33.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.766 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HA ' ' CH2' ' B' ' 37' ' ' TRP . 50.4 ttt85 -62.95 -50.6 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.313 175.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 8.5 tp-100 -63.9 -35.65 81.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.382 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.66 -50.25 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.12 -40.0 93.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.75 -37.53 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.901 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 10.3 t80 -70.67 -35.66 72.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.351 0.596 . . . . 0.0 109.982 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -69.48 -37.89 77.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -56.93 -47.84 79.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.69 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -68.6 -44.26 74.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.003 0.43 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 179.185 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.54 -55.88 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.93 -32.83 65.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 109.636 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -57.5 -44.17 84.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.108 177.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.59 -53.66 54.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.018 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.83 88.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.002 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.7 -44.2 64.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.032 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.85 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.73 -48.63 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.288 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -55.75 -54.38 45.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.398 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD13 ' B' ' 54' ' ' LEU . 4.3 mm? -63.95 -41.39 97.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.543 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.77 -46.01 92.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 109.971 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.06 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.2 -51.18 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.19 85.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -70.29 -39.62 74.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.363 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.42 87.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.11 -32.53 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 33' ' ' LEU . 86.0 tttt -61.63 -47.81 83.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.189 0.519 . . . . 0.0 110.373 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.55 -38.19 86.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.808 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.66 -40.23 76.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 33' ' ' LEU . 59.6 tp -62.68 -52.0 65.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.376 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -62.52 -36.2 81.82 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.076 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.9 -45.73 91.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.54 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -75.18 -26.67 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.816 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.92 -26.8 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.261 0.553 . . . . 0.0 109.725 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -107.35 26.7 9.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.184 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.2 mt -45.25 168.74 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 11.4 Cg_exo 0.69 122.72 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.691 0 C-N-CA 125.164 3.909 . . . . 0.0 115.804 -134.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m 167.06 -43.13 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 111.165 -2.743 . . . . 0.0 106.052 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.76 33.52 2.46 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.545 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 62.3 p-90 -65.1 -14.54 60.75 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.399 0.68 . . . . 0.0 112.281 -175.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 49.4 t30 -64.19 -23.85 67.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.314 0.578 . . . . 0.0 110.147 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -101.23 3.93 41.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.438 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 70.1 mt -53.21 -52.1 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.681 0.277 . . . . 0.0 111.306 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.485 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 53.2 ttm -63.62 -46.2 86.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.701 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.13 -50.23 73.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.43 -50.63 79.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.43 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.413 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.7 mt-10 -55.23 -55.57 29.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.881 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 11.9 mptt -68.04 -32.11 72.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 m -62.46 -45.86 91.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.434 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 54.5 t80 -66.69 -44.19 82.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 46.3 mt-10 -57.55 -47.05 83.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.049 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.43 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.399 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 23' ' ' LYS . 28.6 m-85 -66.33 -40.41 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.504 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.32 -51.16 70.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.449 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.67 -35.66 80.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' B' ' 15' ' ' LEU . 64.9 tp -61.93 -47.6 84.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.719 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 11.7 t70 -75.49 -32.98 60.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.505 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.86 -42.69 99.35 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.027 0.442 . . . . 0.0 109.901 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.53 -44.36 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.726 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.1 mmp_? -58.41 -44.24 88.94 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.228 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.0 mmtt -62.26 -51.06 69.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.259 0.552 . . . . 0.0 110.108 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -61.72 -44.48 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.787 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 179.602 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.712 0.291 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.08 -50.89 70.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.78 -38.39 88.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.997 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.5 -51.45 68.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -65.11 -43.1 93.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.915 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.64 83.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -72.33 -44.48 62.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.4 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -43.37 95.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.12 -49.66 77.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.639 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -54.53 -51.29 65.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.395 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -66.95 -37.04 83.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.026 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.47 -47.87 83.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.619 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.36 94.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.942 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.56 -47.87 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.726 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -61.97 -41.35 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.629 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.17 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -64.63 -28.1 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.312 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 66.5 tttm -59.68 -47.89 83.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -75.32 -24.57 57.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.4 -52.98 18.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 110.298 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.77 -36.98 84.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -52.65 -52.8 54.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.241 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -66.91 -35.34 79.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.745 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.59 -31.7 57.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.34 -39.57 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.58 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.5 pt-20 -72.32 -38.67 68.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 19.2 t70 -105.75 77.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.799 0.809 . . . . 0.0 110.433 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.001 HD12 ' HG3' ' B' ' 23' ' ' LYS . 8.2 mt -79.21 178.1 2.5 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.837 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 2.0 Cg_exo 6.53 122.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.885 1 C-N-CA 126.011 4.474 . . . . 0.0 115.939 -133.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 179.58 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.187 -2.733 . . . . 0.0 107.116 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.76 60.56 0.66 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 111.397 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.501 ' HE3' ' HA ' ' A' ' 34' ' ' PRO . 12.6 p90 -63.48 -20.67 65.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 111.402 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 7.3 t30 -70.4 -31.27 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.098 0.475 . . . . 0.0 109.922 176.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.027 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.5 mt -51.76 -50.28 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.476 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.8 ttm -65.36 -40.35 93.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.079 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 46' ' ' LYS . 26.5 tt0 -62.24 -57.2 12.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.52 -44.08 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.69 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.38 -46.59 88.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.295 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.27 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 0.0 110.474 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 42' ' ' GLU . 44.1 mtpt -62.45 -35.92 80.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.916 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.42 ' O ' ' HD1' ' A' ' 51' ' ' TYR . 87.1 m -66.7 -49.59 65.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 60.3 t80 -60.82 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.975 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.43 -34.39 76.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.332 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.52 67.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 47' ' ' THR . 50.0 m-85 -66.3 -32.73 74.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -58.06 -56.54 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.652 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -63.46 -37.37 87.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.228 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.26 -51.97 65.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 36.4 t70 -70.68 -30.82 67.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.275 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.17 -53.16 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.74 -37.58 87.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HA ' HG22 ' A' ' 61' ' ' THR . 46.5 ttt85 -70.56 -40.48 73.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.719 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -51.89 -53.85 36.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.362 0.601 . . . . 0.0 110.78 176.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -56.03 -55.54 31.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.302 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 58' ' ' ARG . 11.3 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.736 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.223 -0.324 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.17 -48.56 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 109.968 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.24 -37.29 83.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.477 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.47 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 84.8 mt -63.94 -46.22 85.69 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 12.2 mptt -66.44 -38.61 87.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.85 88.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.502 . . . . 0.0 110.645 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -68.44 -45.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.909 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.7 -42.65 99.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.538 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -58.52 -47.2 84.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 110.561 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -58.61 -47.58 83.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.487 HD21 ' OE1' ' B' ' 53' ' ' GLN . 9.5 mp -66.83 -41.37 87.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.87 -47.68 84.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.848 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.32 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.323 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -72.9 -46.04 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 110.491 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.203 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 64.8 m -65.68 -37.51 86.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.929 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.42 -49.52 73.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.82 -36.59 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 1.001 ' HG3' HD12 ' A' ' 33' ' ' LEU . 84.4 tttt -55.79 -55.11 36.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.292 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 22.6 ptm -72.53 -32.24 65.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.46 -43.92 79.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.159 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.82 -43.51 83.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -53.84 -52.61 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.663 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.13 -35.06 79.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.702 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.45 -43.54 66.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.56 -22.41 66.69 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.24 0.543 . . . . 0.0 111.205 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.36 29.72 7.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.638 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' HA ' ' B' ' 30' ' ' ALA . 6.2 mt -40.41 176.68 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.676 ' HA ' ' HB3' ' B' ' 37' ' ' TRP . 0.2 OUTLIER 20.19 -91.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.685 0 C-N-CA 123.646 2.898 . . . . 0.0 113.633 -126.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 32.01 -83.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -167.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 34' ' ' PRO . . . -111.37 47.85 1.0 Allowed Glycine 0 C--N 1.333 0.412 0 N-CA-C 112.276 -0.33 . . . . 0.0 112.276 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.676 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 27.7 p90 -60.99 -21.08 63.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.415 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 66.8 t30 -65.86 -23.44 66.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 0.0 110.27 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -94.43 1.63 55.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.008 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' B' ' 37' ' ' TRP . 62.2 mt -56.01 -44.39 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.27 -38.2 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.75 -54.97 38.76 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.045 0.45 . . . . 0.0 110.303 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.9 t -56.69 -49.26 78.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.477 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.53 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.21 -50.45 73.6 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.193 0.521 . . . . 0.0 110.797 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.325 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -69.28 -46.44 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.365 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 74.8 t80 -61.11 -48.31 82.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.58 -47.26 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.422 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.563 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -73.01 -33.72 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.42 -50.91 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' B' ' 15' ' ' LEU . 0.0 OUTLIER -65.41 -34.11 77.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.4 -50.7 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.665 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 31.8 t70 -63.75 -38.03 89.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.799 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.45 ' OE1' ' HD3' ' B' ' 59' ' ' LYS . 5.5 mm-40 -69.8 -43.66 71.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.014 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.47 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 66.4 t80 -68.25 -33.44 74.39 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.65 -50.61 71.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.568 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 1.6 ptmm? -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.41 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 30.9 m -61.63 -50.86 70.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.294 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 -177.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.71 0.291 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.03 -45.32 77.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.267 0.556 . . . . 0.0 110.118 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.81 -31.97 71.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.934 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.15 -43.62 98.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.163 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.67 -40.63 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.361 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.44 87.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.777 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.69 -49.61 75.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -57.69 -43.61 85.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.725 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -57.07 -48.41 78.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.479 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -54.81 -49.99 69.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.969 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.563 ' HB3' ' HG ' ' A' ' 54' ' ' LEU . 4.0 mm? -68.26 -42.28 79.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.54 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.83 -51.45 69.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.73 97.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 50' ' ' ALA . 23.4 tt0 -63.55 -49.84 71.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.27 93.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -72.9 -40.22 65.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.599 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.65 91.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 111.123 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.4 mm? -67.86 -26.64 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.791 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -61.32 -55.65 29.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -67.02 -31.52 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.53 -39.93 85.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.037 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' VAL . 63.3 tp -72.72 -43.55 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.868 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 37.2 t-80 -58.85 -44.82 91.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.44 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 0.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.9 tp -78.19 -37.94 44.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.911 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.79 62.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.523 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 57.7 mt-10 -75.35 -45.57 38.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.724 0.297 . . . . 0.0 110.654 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.38 80.19 2.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.741 0.781 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.71 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -68.96 -179.72 0.58 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 113.965 -1.47 . . . . 0.0 113.675 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.28 -84.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.586 0 C-N-CA 124.492 3.462 . . . . 0.0 113.961 -130.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m 24.83 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.42 43.43 1.72 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.056 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.487 ' HA ' HG13 ' A' ' 40' ' ' ILE . 49.2 p-90 -54.6 -24.72 22.45 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.882 0.873 . . . . 0.0 112.42 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 21.0 t-20 -63.04 -25.43 68.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.461 . . . . 0.0 110.587 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 39' ' ' ARG . 43.8 ttt-85 -93.9 -3.22 52.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.378 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG13 ' HA ' ' A' ' 37' ' ' TRP . 62.3 mt -55.64 -43.17 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.526 -177.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -44.71 84.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.82 -58.63 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.857 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 26' ' ' LEU . 9.9 t -56.8 -44.29 81.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.129 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.04 84.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.731 0.3 . . . . 0.0 111.067 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.2 -49.22 78.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.033 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -67.24 -37.62 83.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.412 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 84.8 m -63.52 -46.73 84.69 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -53.95 52.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.828 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 23.2 mm-40 -58.57 -36.84 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.68 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB2' HE21 ' A' ' 18' ' ' GLN . . . -64.92 -50.77 65.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.767 0.317 . . . . 0.0 111.07 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -72.52 -33.53 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.828 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 8.9 ptm180 -66.57 -41.94 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.094 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -69.08 -40.37 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -59.15 -45.46 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.328 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -67.01 -43.18 83.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.669 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.61 -43.78 97.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.349 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -59.96 -47.77 84.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -60.61 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m -64.57 -43.14 94.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.202 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.389 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.86 -56.52 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.738 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.34 -29.56 65.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.308 0.575 . . . . 0.0 110.185 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.04 -38.41 85.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.739 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -76.07 -32.59 59.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.65 96.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.203 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -62.43 -46.43 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.151 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.186 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.32 -48.04 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -52.95 -46.92 68.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.027 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.82 -43.12 76.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -61.1 -47.61 85.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.27 97.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.5 -48.34 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.498 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.081 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.86 -37.83 82.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.71 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' B' ' 22' ' ' LEU . 4.2 mm? -68.43 -31.07 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 86.6 tttt -54.19 -51.27 64.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.751 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 49.4 ttm -75.17 -37.69 61.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.668 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.45 -44.49 90.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.96 -45.92 76.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.793 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 36.4 t-80 -64.11 -41.44 97.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.718 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.13 -41.44 88.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.536 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.88 -38.54 79.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.976 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.12 83.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 40.2 mm-40 -73.19 -22.51 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -113.32 26.15 10.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.7 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.866 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.0 mt -42.48 168.65 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.866 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.6 Cg_exo -0.32 122.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.697 0 C-N-CA 125.108 3.872 . . . . 0.0 115.81 -135.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.715 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 11.0 m 169.79 -60.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 111.505 -2.588 . . . . 0.0 107.24 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.73 26.49 5.66 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.809 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.715 ' HD1' ' H ' ' B' ' 35' ' ' THR . 25.1 p-90 -64.32 -10.94 27.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.088 0.555 . . . . 0.0 111.908 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.93 -13.62 61.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.281 0.563 . . . . 0.0 110.085 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.404 ' O ' HG23 ' B' ' 43' ' ' VAL . 31.4 ttt180 -103.73 2.05 32.51 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 tt -60.97 -35.88 68.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 97.0 mmm -64.76 -51.81 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.648 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' B' ' 45' ' ' GLU . 29.5 tt0 -57.16 -45.94 83.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.338 0.589 . . . . 0.0 110.878 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 39' ' ' ARG . 48.8 t -60.85 -44.96 98.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.451 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.06 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.07 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 41' ' ' MET . 57.5 mt-10 -53.99 -57.74 9.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.724 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -40.34 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.349 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.4 m -60.53 -50.43 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.46 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 30.6 t80 -61.66 -48.4 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 33.6 mt-10 -59.35 -44.91 92.61 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.32 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.67 93.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -66.4 -38.84 88.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 110.332 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -58.35 -53.2 61.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.582 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 93.5 mt-30 -61.84 -38.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.183 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.48 -49.97 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.5 -43.25 94.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.4 -42.44 99.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.696 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.34 -43.89 96.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.87 0.366 . . . . 0.0 110.014 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.7 mmp_? -61.56 -47.89 83.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.185 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.13 -44.17 97.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.414 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -68.99 -44.91 71.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.242 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -177.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -66.72 -46.77 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.121 0.486 . . . . 0.0 110.368 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.32 -40.16 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.016 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 2.1 tt -58.41 -52.23 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.449 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -64.57 -45.7 85.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.084 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.18 97.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.734 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.1 tpmt? -69.5 -47.02 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.5 tp -57.72 -46.36 84.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.093 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.17 -50.39 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -63.51 -47.09 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.112 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.555 ' CD2' ' HE2' ' A' ' 11' ' ' LYS . 3.9 mm? -66.72 -41.19 88.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.423 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -60.09 -45.83 91.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.234 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.71 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.794 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -59.13 -52.17 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -64.07 -41.73 97.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.754 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.69 92.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -37.1 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.77 -38.97 76.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.737 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -75.08 -46.35 35.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.001 0.429 . . . . 0.0 110.52 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.08 -47.62 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.239 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.71 -41.96 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -62.42 -37.46 85.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.407 . . . . 0.0 110.555 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.97 -37.73 61.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.029 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.501 HD22 HG21 ' A' ' 43' ' ' VAL . 49.1 tp -69.33 -39.45 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 110.461 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -25.66 68.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.745 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.13 -40.5 59.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.085 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.25 33.39 0.98 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.334 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.03 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.5 mt -53.44 175.08 0.14 Allowed Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.931 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 1.03 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.66 20.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.353 1 C-N-CA 126.127 4.551 . . . . 0.0 117.983 -146.131 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -129.21 146.48 51.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 162.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.5 14.36 27.44 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.812 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' HB2' ' HD2' ' B' ' 51' ' ' TYR . 35.8 p90 -54.06 -24.98 19.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.15 0.58 . . . . 0.0 112.541 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.83 -21.19 66.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -103.74 3.5 34.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.615 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' HA ' ' A' ' 37' ' ' TRP . 74.9 mt -58.69 -45.88 90.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.895 0.379 . . . . 0.0 110.486 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -48.49 79.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.0 tt0 -58.49 -56.08 26.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 HD22 ' A' ' 29' ' ' LEU . 62.1 t -61.51 -41.73 91.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.64 98.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 110.614 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.26 -49.3 78.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.315 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.4 mtmt -64.02 -37.92 89.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.441 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -67.89 -45.28 74.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 0.0 110.545 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 86.1 t80 -60.41 -46.58 89.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.756 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 17.6 tp10 -61.11 -39.06 88.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.757 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.34 -54.27 42.92 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.761 176.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -63.35 -40.8 98.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.756 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 5.6 ptm180 -64.22 -42.37 96.6 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 19.4 tp60 -72.07 -33.76 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.428 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 15' ' ' LEU . 2.0 mp -54.48 -51.98 63.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.963 0.411 . . . . 0.0 110.657 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.61 -44.26 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.674 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 30.0 mt-10 -62.1 -38.0 87.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.87 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 82.2 t80 -70.1 -41.81 73.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -64.66 -46.46 82.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.625 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 8.9 ptmt -67.53 -29.39 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.065 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -79.88 -56.54 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.042 0.448 . . . . 0.0 110.626 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.469 HG21 ' HG ' ' A' ' 8' ' ' LEU . 32.3 m . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.44 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.22 -44.52 62.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -57.87 -43.46 86.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.91 -47.27 81.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.843 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.64 -49.4 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.76 92.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.03 -43.32 71.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -65.37 -38.43 90.01 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.799 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -57.91 -44.4 86.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -61.69 -52.22 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.628 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.04 -46.24 90.17 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.523 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.76 -44.45 90.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.876 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.97 90.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.5 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 26.8 tt0 -60.44 -44.55 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.497 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.08 85.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.33 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 47.3 m -63.53 -38.96 93.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.731 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.37 94.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 94.0 mt -66.04 -42.13 89.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.483 ' HG2' HD13 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -55.63 -43.02 75.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.016 0.436 . . . . 0.0 109.997 176.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt -68.18 -47.41 68.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.03 -39.79 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.507 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.2 -44.92 93.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 0.0 110.3 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.23 -33.4 73.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.65 -42.39 86.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 tp -68.87 -33.68 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -26.75 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.695 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.27 -22.43 28.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.418 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.76 23.55 6.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.981 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.993 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.2 mt -51.8 173.61 0.13 Allowed Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.993 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 17.91 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.638 1 C-N-CA 127.169 5.246 . . . . 0.0 119.068 -148.534 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 33' ' ' LEU . 2.0 p -129.19 132.56 47.31 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 160.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.62 18.18 69.78 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.556 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -57.29 -21.65 36.24 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.181 0.491 . . . . 0.0 111.738 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -63.58 -22.99 67.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -77.74 -18.22 56.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.351 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.93 -48.08 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' B' ' 41' ' ' MET . 9.3 mmt -60.12 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 111.404 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -67.74 -54.93 15.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.155 0.503 . . . . 0.0 110.427 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.3 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.268 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.17 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.46 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -72.37 -31.46 65.6 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.994 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' B' ' 46' ' ' LYS . 7.7 tppt? -64.22 -49.17 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.841 175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.42 ' HA ' HD13 ' B' ' 22' ' ' LEU . 56.6 m -62.55 -44.62 95.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.339 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.93 -50.1 74.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.121 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -49.49 76.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 0.0 110.566 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.78 98.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.692 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . 0.525 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 13.2 m-30 -69.02 -44.16 73.29 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.04 -51.69 65.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 110.685 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.61 -29.6 70.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.359 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.97 -46.12 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.717 0.294 . . . . 0.0 110.212 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.98 -43.17 93.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.084 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.94 -35.47 81.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 61' ' ' THR . 78.5 t80 -63.37 -45.05 92.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -47.19 84.79 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -56.03 -49.95 72.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.123 0.487 . . . . 0.0 111.035 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -63.48 -51.24 66.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.071 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 57' ' ' PHE . 11.1 t . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.772 -173.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.836 0.35 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -65.11 -48.5 73.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.425 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.3 mp0 -62.18 -40.77 97.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.135 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.559 HD11 HG23 ' A' ' 61' ' ' THR . 2.2 tt -60.72 -47.72 85.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.145 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -61.92 -45.48 93.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.976 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.96 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.844 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HE3' ' OE1' ' A' ' 53' ' ' GLN . 1.1 tmtm? -68.17 -49.08 63.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.809 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.14 -39.95 94.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -58.02 -50.61 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.14 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 1.3 tppp? -58.21 -47.05 84.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.142 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 54' ' ' LEU . 78.7 mt -61.51 -46.6 89.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.581 0.229 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.03 -48.57 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 109.931 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.22 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.44 -45.69 91.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.496 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.43 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -72.3 -40.57 67.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.65 90.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.945 0.402 . . . . 0.0 110.71 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt -69.01 -31.85 70.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.753 ' HG2' HD13 ' B' ' 33' ' ' LEU . 13.9 tmtt? -63.17 -49.85 72.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -70.65 -28.02 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.744 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.99 -41.07 64.69 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 33' ' ' LEU . 58.2 tp -63.48 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.514 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.49 -43.16 86.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.89 -39.28 88.69 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 40' ' ' ILE . 51.7 tp -60.06 -44.56 94.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.288 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.3 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.12 -22.64 48.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.503 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.45 40.21 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.547 0.689 . . . . 0.0 110.772 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.907 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.0 mt -60.45 167.91 2.8 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.547 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 1.3 Cg_exo 3.69 133.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.376 1 C-N-CA 126.578 4.852 . . . . 0.0 116.745 -148.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.618 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 63.1 m 97.62 -16.8 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 113.481 -1.691 . . . . 0.0 109.452 -163.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.08 11.45 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.665 171.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.618 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.5 p-90 -65.14 -27.93 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -79.35 -19.13 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.375 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 29' ' ' LEU . 8.6 ttm180 -74.03 -19.01 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.843 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.631 ' HA ' HD21 ' A' ' 29' ' ' LEU . 79.7 mt -55.88 -49.88 72.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.436 -174.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.511 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.7 mmt -60.87 -42.98 98.95 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 35.5 tt0 -62.52 -55.67 25.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.06 -49.17 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.99 87.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.995 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -66.09 -53.65 35.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -62.7 -40.41 97.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.713 -177.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 40.0 m -67.09 -47.0 72.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 111.179 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.5 t80 -63.27 -43.48 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.348 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.73 -36.51 84.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.11 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.76 87.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.821 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -63.8 -40.19 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -66.28 -47.05 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.861 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.51 ' OE1' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.06 -35.39 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.9 tp -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 0.0 110.377 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 31.6 t70 -68.45 -44.07 75.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.61 -48.86 71.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.453 0.701 . . . . 0.0 111.224 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -66.39 -34.67 78.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -33.51 75.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.989 177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mmtt -69.77 -43.16 72.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 109.921 175.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -60.63 -45.6 93.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.119 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.559 HG23 HD11 ' A' ' 8' ' ' LEU . 54.4 m . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.785 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.94 -53.24 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.446 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -63.68 -37.32 86.9 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.278 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.81 -51.66 68.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.672 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.0 93.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.261 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -75.8 -43.73 44.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.818 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.24 -44.04 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.981 0.419 . . . . 0.0 110.024 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -61.47 -38.85 88.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.772 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.84 -46.85 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.662 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -41.37 96.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.13 -47.65 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.111 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.49 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.03 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.38 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' B' ' 23' ' ' LYS . 51.2 m -73.32 -39.61 65.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.343 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.79 75.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.687 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.2 mm? -68.13 -28.2 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.648 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' B' ' 20' ' ' THR . 11.2 pttp -69.47 -32.66 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 20' ' ' THR . 65.7 mtt -69.43 -43.44 73.38 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -47.24 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.662 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.21 -50.17 69.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 t60 -58.5 -43.66 89.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.05 -38.74 63.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.023 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' B' ' 36' ' ' GLY . 38.6 tp -66.27 -37.21 84.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -25.97 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.059 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.22 -22.34 30.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.139 0.495 . . . . 0.0 109.896 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -102.82 24.38 10.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.835 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.983 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -46.89 173.84 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 113.962 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.983 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.23 20.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.49 1 C-N-CA 126.163 4.575 . . . . 0.0 117.977 -145.884 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.55 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -128.98 134.84 48.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 159.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' B' ' 29' ' ' LEU . . . 73.01 10.37 77.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.555 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.405 ' HA ' HG13 ' B' ' 40' ' ' ILE . 33.8 p90 -54.68 -29.52 53.09 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.018 0.527 . . . . 0.0 112.306 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.2 t-20 -74.96 -18.46 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 110.371 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -102.01 3.09 38.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' B' ' 37' ' ' TRP . 59.1 mt -56.39 -50.76 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.956 -177.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.65 -34.98 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 33.0 tt0 -59.29 -55.02 40.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.903 0.383 . . . . 0.0 110.928 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.28 -51.85 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.52 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.451 ' HB1' HG22 ' A' ' 40' ' ' ILE . . . -54.74 -39.35 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.653 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 42' ' ' GLU . 17.8 mt-10 -50.94 -61.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.364 175.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 13.1 mptt -71.43 -33.72 69.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.92 -172.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -63.21 -48.39 78.52 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -67.48 -49.25 64.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.686 0.279 . . . . 0.0 110.998 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' B' ' 52' ' ' ARG . 30.7 mm-40 -59.8 -35.28 74.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.588 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.68 68.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.38 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.38 -45.15 95.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.48 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' B' ' 49' ' ' GLU . 2.1 ptm180 -64.59 -41.8 96.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.857 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -72.35 -35.19 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.539 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -49.95 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.6 t70 -67.82 -39.71 83.89 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.817 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -58.69 -48.72 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 111.068 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -63.83 -39.17 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -59.18 -49.68 76.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 25.9 mttm -60.15 -46.45 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.314 0.578 . . . . 0.0 110.48 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -59.17 -56.64 19.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.718 -173.382 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.57 -44.7 64.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.2 0.524 . . . . 0.0 110.267 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -66.02 -34.84 79.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.423 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.441 HD12 ' HZ ' ' A' ' 57' ' ' PHE . 13.1 tp -63.64 -48.55 76.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.68 174.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.98 -47.01 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.729 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.95 86.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.119 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -65.72 -51.58 58.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.93 -42.0 83.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.469 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.78 -50.46 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -60.79 -42.55 97.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.186 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.17 -44.59 79.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -61.07 -44.36 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.216 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.32 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.904 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.91 -46.03 92.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.618 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.05 88.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.54 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 24' ' ' MET . 50.9 m -67.77 -38.24 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.14 92.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.58 -37.48 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.0 -39.7 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.178 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.3 mmt -63.27 -48.89 76.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.963 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.3 -38.79 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.109 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.78 -39.18 90.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -63.86 -37.35 87.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.78 -44.82 84.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 40' ' ' ILE . 58.2 tp -61.4 -30.17 70.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.12 87.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 110.43 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -85.25 -23.17 28.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.631 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 14.3 t70 -94.41 15.9 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.316 -175.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.2 mt -58.94 169.63 1.06 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.348 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 14.83 21.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 126.672 4.914 . . . . 0.0 118.68 -151.532 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 33' ' ' LEU . 14.8 m -113.15 -48.44 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.971 0.415 . . . . 0.0 109.946 169.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.68 40.28 2.58 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.224 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.451 ' HA ' HG13 ' A' ' 40' ' ' ILE . 37.7 p90 -51.53 -25.42 6.66 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -62.59 -18.82 62.91 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 111.052 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -91.51 -13.8 31.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HA ' HD21 ' A' ' 29' ' ' LEU . 63.7 mt -53.25 -52.31 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -171.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.2 ttm -77.3 -34.85 55.42 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.545 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.74 -58.41 6.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.155 0.503 . . . . 0.0 110.641 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.88 -39.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.67 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.39 -46.73 87.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.01 178.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.81 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 7.1 ttmm -66.25 -39.85 89.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.861 -176.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 m -66.68 -41.76 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.989 0.423 . . . . 0.0 110.272 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -57.03 -52.91 63.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.237 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.08 -46.99 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.758 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.07 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' B' ' 34' ' ' PRO . 32.5 m-85 -73.0 -35.38 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -64.8 -50.83 65.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.407 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.63 -39.51 91.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.418 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.61 -45.09 92.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.067 0.46 . . . . 0.0 110.913 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 t70 -71.39 -46.54 60.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.39 -36.63 80.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.354 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 8' ' ' LEU . 72.1 t80 -59.58 -41.82 91.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.538 174.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.32 -41.79 84.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.242 178.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.2 mmtt -60.34 -52.21 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.468 . . . . 0.0 110.098 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 t -59.99 -45.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.567 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 m . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.268 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.994 0.426 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.51 -54.88 41.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.019 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.63 -34.29 77.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 26.4 tp -65.72 -44.17 86.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.442 0.639 . . . . 0.0 110.003 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -71.12 -33.11 69.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.847 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.55 96.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.21 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.91 -49.3 78.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.662 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.53 -42.05 82.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.84 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -55.53 -49.97 71.23 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -55.68 -51.07 68.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.239 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.28 -49.77 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.314 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -56.25 -53.51 56.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.36 95.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.518 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.83 -47.11 79.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.74 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.044 0.45 . . . . 0.0 111.19 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -65.36 -39.59 92.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.5 mm? -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.309 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.37 -31.33 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.379 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.35 -48.88 71.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.174 0.512 . . . . 0.0 109.954 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.99 -38.98 93.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.79 -42.14 97.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.49 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.35 -46.47 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.694 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.57 -34.08 70.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' B' ' 40' ' ' ILE . 60.8 tp -82.87 -49.86 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.283 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.66 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.75 -35.19 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.6 -22.02 61.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 110.297 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -114.61 25.6 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 1.028 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.5 mt -44.52 175.68 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.424 1.09 . . . . 0.0 113.285 175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 1.028 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.98 20.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.175 4.583 . . . . 0.0 117.937 -145.41 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -129.39 145.03 51.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 161.017 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.87 11.91 58.83 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.281 -0.485 . . . . 0.0 113.768 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.642 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.5 p90 -56.5 -24.25 44.97 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -65.37 -21.2 66.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.808 0.337 . . . . 0.0 111.008 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -105.12 4.74 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.374 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' B' ' 37' ' ' TRP . 48.9 mt -54.48 -46.42 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.586 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.4 -37.29 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.735 -176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.79 -56.45 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.0 0.428 . . . . 0.0 110.567 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.95 -44.64 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.23 78.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.492 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 44.8 tt0 -56.84 -59.29 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.263 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -33.97 76.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.32 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -63.08 -43.75 97.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.237 0.541 . . . . 0.0 110.227 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.3 -44.98 74.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 47.9 mt-10 -55.67 -50.8 69.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.164 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -47.6 69.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.613 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.3 m-85 -67.7 -31.98 72.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -59.96 -55.06 38.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.97 174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.43 -32.91 74.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.659 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.62 -42.05 98.22 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.2 -40.89 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.651 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.02 -43.09 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 0.0 110.177 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.26 -43.67 97.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.145 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.43 -46.86 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -58.91 -46.56 87.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.827 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.0 t -69.92 -44.18 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.092 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -175.594 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.585 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.55 -56.49 19.46 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.39 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.08 -38.56 91.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.316 0.579 . . . . 0.0 109.527 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 1.7 mm? -54.93 -45.83 74.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.994 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.0 tppt? -66.52 -50.35 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.18 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.027 0.441 . . . . 0.0 110.996 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -74.97 -42.53 57.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.647 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.56 -39.97 92.28 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.19 -51.83 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.46 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 85.1 mt -63.72 -40.49 96.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.945 -175.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.81 -44.03 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.675 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.6 86.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -57.62 -54.47 46.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.629 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.39 90.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.675 -178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -61.2 -43.46 98.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.151 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.16 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.062 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.33 -33.19 75.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.438 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -58.98 -51.56 69.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.709 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.3 mtm -67.75 -38.61 83.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.941 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.23 -43.21 78.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.19 -37.94 78.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -55.25 -54.15 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.729 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.44 -25.72 63.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.13 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 40' ' ' ILE . 62.0 tp -63.92 -40.77 97.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.155 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.27 -27.04 61.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.45 -25.52 60.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.589 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.97 53.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.003 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.872 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -60.59 169.89 1.63 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.422 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.872 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 11.6 Cg_exo -4.69 122.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 125.195 3.93 . . . . 0.0 116.169 -137.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 m 174.86 -53.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.175 -2.739 . . . . 0.0 106.143 174.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.39 27.16 6.42 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.904 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' HA ' HG13 ' A' ' 40' ' ' ILE . 67.8 p-90 -56.58 -30.06 62.76 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.36 -28.23 67.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.468 0.651 . . . . 0.0 109.982 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HE ' ' CD ' ' A' ' 42' ' ' GLU . 11.2 ttm180 -89.51 -3.45 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.724 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.5 mt -54.0 -44.24 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.7 tpp -61.24 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' CD ' ' HE ' ' A' ' 39' ' ' ARG . 28.6 tt0 -73.7 -50.45 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.17 -48.52 85.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.969 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.42 -50.97 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.891 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.79 -49.45 77.61 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.841 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.51 HG22 ' CE2' ' A' ' 51' ' ' TYR . 11.7 m -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.132 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 43.6 t80 -68.49 -42.11 79.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.693 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.31 -39.96 80.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.952 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.15 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CE2' HG22 ' A' ' 47' ' ' THR . 24.8 m-85 -62.94 -36.61 84.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.493 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -63.56 -48.77 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.231 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -53.27 -48.63 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.15 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 8.2 mp -58.98 -48.92 79.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 111.104 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.17 -44.75 87.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.067 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.69 -40.48 95.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.309 0.576 . . . . 0.0 110.592 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 21.4 t80 -65.14 -40.23 94.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.988 177.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -65.44 -43.27 90.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.97 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -58.33 -49.35 77.49 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.099 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 p -68.46 -43.53 76.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 57' ' ' PHE . 15.2 t . . . . . 0 C--N 1.323 -0.56 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.034 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.35 -51.79 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.638 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.31 -38.68 84.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.86 -51.86 64.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.925 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -66.65 -41.59 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.733 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.24 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.324 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.04 -45.03 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.59 -41.85 91.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.134 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -57.73 -51.13 70.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.754 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' B' ' 14' ' ' LYS . 0.9 OUTLIER -58.61 -46.64 86.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.449 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.1 mm? -68.38 -39.65 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -64.88 -44.55 89.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.84 -57.47 11.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.229 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -35.71 70.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.441 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -66.3 -33.58 76.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.28 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.27 -26.02 67.14 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.64 -45.51 81.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -71.14 -42.3 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.416 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -44.14 84.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.8 tp -77.62 -47.35 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -61.67 -39.17 90.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.22 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.7 -39.79 95.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.176 0.512 . . . . 0.0 110.348 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.69 -36.78 70.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.819 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -64.35 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.473 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.35 -34.67 55.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.852 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -104.35 26.49 8.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.18 0.514 . . . . 0.0 110.59 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.3 mt -43.43 174.34 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.066 0.947 . . . . 0.0 113.45 175.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.83 19.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 1 C-N-CA 126.657 4.905 . . . . 0.0 118.597 -144.947 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -128.05 133.67 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 160.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.95 9.58 71.29 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.191 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.525 ' HA ' HG13 ' B' ' 40' ' ' ILE . 70.7 p-90 -58.09 -21.02 44.29 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 61.2 t30 -61.63 -25.49 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.324 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.406 ' O ' HG23 ' B' ' 43' ' ' VAL . 58.6 mtp180 -92.77 0.07 57.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.05 -175.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.525 HG13 ' HA ' ' B' ' 37' ' ' TRP . 51.1 mt -54.83 -49.27 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.497 0.189 . . . . 0.0 111.396 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 38.0 ttm -68.29 -35.27 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.918 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' B' ' 46' ' ' LYS . 26.8 tt0 -62.14 -53.15 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.297 0.57 . . . . 0.0 110.414 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.54 HG11 ' HA ' ' B' ' 26' ' ' LEU . 57.7 t -63.89 -38.29 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.827 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.38 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.521 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.69 84.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' B' ' 42' ' ' GLU . 65.9 mttt -60.17 -49.79 76.25 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 m -60.57 -49.51 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.21 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.28 -49.24 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.266 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.99 -46.39 90.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.39 -51.98 66.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.72 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -69.44 -37.01 77.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.404 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -64.82 -50.82 65.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.509 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -59.19 -39.91 84.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.627 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 40.7 tp -58.62 -49.93 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.037 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.38 -39.93 92.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -60.85 -42.66 98.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.064 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.1 mtp180 -64.34 -39.24 93.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.37 -38.53 81.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 33.8 t -63.28 -54.43 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.496 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.474 HG22 ' HA ' ' B' ' 58' ' ' ARG . 11.0 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.562 -176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.45 -46.47 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.547 0.689 . . . . 0.0 110.236 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.54 -37.84 83.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.922 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.22 -37.21 80.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.606 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.38 -51.9 60.96 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.335 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.29 84.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.772 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -62.74 -53.52 53.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.61 177.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.23 -34.6 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.712 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.29 -47.82 84.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.954 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -64.42 -48.44 75.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 88.2 mt -60.41 -36.14 77.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.679 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.99 -43.26 99.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.928 0.395 . . . . 0.0 110.31 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.89 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.337 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -58.25 -51.71 68.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.572 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.46 74.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.533 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -75.02 -46.91 31.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.16 91.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.21 -38.37 90.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.006 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HG3' HD13 ' B' ' 33' ' ' LEU . 84.3 tttt -59.11 -45.44 90.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.999 0.428 . . . . 0.0 110.462 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.5 mtp -66.3 -48.05 71.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.853 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.9 -43.89 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD23 HD11 ' B' ' 33' ' ' LEU . 67.3 tp -61.0 -48.43 81.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.756 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 5.7 t60 -62.32 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.38 -44.07 92.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 43' ' ' VAL . 58.9 tp -64.83 -37.09 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.671 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' B' ' 27' ' ' HIS . . . -65.99 -26.93 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.036 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 38.7 mm-40 -70.63 -35.55 72.98 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 176.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -112.5 65.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.774 0.797 . . . . 0.0 110.35 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.058 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.7 mt -70.9 176.24 2.14 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.593 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 1.058 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 18.14 19.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.553 1 C-N-CA 127.365 5.377 . . . . 0.0 119.309 -149.548 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -111.18 133.65 53.38 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 155.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.55 42.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.053 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 2.1 p90 -56.44 -22.59 33.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 111.3 178.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -71.55 -16.83 62.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.06 0.457 . . . . 0.0 111.035 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.5 ttt-85 -98.86 1.07 45.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.309 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' ' 37' ' ' TRP . 15.6 mt -51.75 -43.25 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.817 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.23 -44.1 96.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.546 0.212 . . . . 0.0 110.914 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -59.06 -51.37 70.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 29' ' ' LEU . 32.7 t -60.3 -46.1 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.756 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.08 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.16 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.175 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.18 -44.35 83.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.472 HG21 HD22 ' A' ' 26' ' ' LEU . 40.9 m -63.92 -46.81 83.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.991 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.041 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.8 -41.8 87.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.236 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -55.87 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.989 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -64.96 -28.88 69.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.611 0.243 . . . . 0.0 111.185 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -68.41 -48.6 64.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 110.354 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' OE1' HD21 ' A' ' 15' ' ' LEU . 29.0 tt0 -61.33 -36.17 79.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 5.7 mp -58.81 -43.74 90.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.454 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.622 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 32.2 t70 -72.28 -38.23 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.11 -40.56 77.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.316 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' O ' HG22 ' A' ' 61' ' ' THR . 92.3 t80 -61.28 -44.0 97.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.112 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.794 HH21 HG21 ' A' ' 61' ' ' THR . 0.5 OUTLIER -60.48 -44.1 96.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.313 179.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.622 ' HE2' ' OD2' ' A' ' 55' ' ' ASP . 67.9 mmtt -57.6 -46.65 83.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.383 0.611 . . . . 0.0 109.797 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -65.59 -54.75 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.686 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.794 HG21 HH21 ' A' ' 58' ' ' ARG . 7.5 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.77 -174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 120.581 0.229 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.66 -53.57 55.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.68 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -33.77 74.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.748 178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.46 -45.17 84.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.347 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.23 -52.53 58.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.419 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.56 78.02 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.435 0.459 . . . . 0.0 111.111 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -67.17 -52.56 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.98 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.85 -47.49 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.48 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -61.81 -44.45 96.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' B' ' 54' ' ' LEU . 82.1 mt -68.05 -42.76 80.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.492 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.85 -51.52 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.278 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.42 92.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.39 -50.79 71.43 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.38 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 111.584 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -68.89 -44.95 72.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.52 83.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.223 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -35.14 77.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.317 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -53.74 -53.33 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.932 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.27 -39.64 71.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.819 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.75 -35.64 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.68 -41.49 83.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.282 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 36.5 t-80 -62.27 -39.2 92.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.35 -42.4 98.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.639 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.26 -41.58 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.051 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -26.13 66.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 111.114 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 27' ' ' HIS . 40.5 mt-10 -78.5 -22.3 47.62 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.309 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -98.6 24.28 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.337 0.589 . . . . 0.0 111.14 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.878 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 15.6 mt -47.71 169.48 0.12 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.329 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.878 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 1.2 Cg_exo 5.8 127.25 0.0 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.824 1 C-N-CA 125.39 4.06 . . . . 0.0 115.915 -136.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.675 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 30.3 m 96.4 -14.44 0.08 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 111.88 -2.418 . . . . 0.0 109.51 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.72 47.14 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 170.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.675 ' HD1' ' H ' ' B' ' 35' ' ' THR . 37.3 p-90 -108.27 -27.06 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.69 -22.22 60.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.263 0.554 . . . . 0.0 110.553 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' B' ' 43' ' ' VAL . 23.9 tpp180 -82.07 -11.79 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.47 -52.53 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.171 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 53.5 ttm -65.36 -33.03 74.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.222 0.534 . . . . 0.0 110.894 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.05 -57.81 6.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.002 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' B' ' 39' ' ' ARG . 58.6 t -63.28 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.931 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.84 94.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.226 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.48 -50.35 74.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.287 0.565 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 46' ' ' LYS . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.901 -176.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 63.4 m -67.37 -43.33 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.514 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -63.88 -46.16 86.14 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.256 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -53.8 -47.58 70.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.38 46.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -37.26 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -67.66 -46.82 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.99 -33.79 74.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.928 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.585 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.8 mp -60.54 -50.92 71.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.395 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.94 -43.7 98.3 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.94 -47.93 81.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.423 ' O ' HG22 ' B' ' 61' ' ' THR . 81.9 t80 -60.29 -42.09 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.601 ' HE ' ' HA ' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -59.89 -42.46 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.436 -179.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.92 -36.84 48.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 38.9 m -64.63 -43.48 93.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.738 0.304 . . . . 0.0 110.808 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.423 HG22 ' O ' ' B' ' 57' ' ' PHE . 13.7 t . . . . . 0 C--N 1.327 -0.374 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.76 -50.38 43.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 0.0 110.415 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 19.0 tt0 -63.09 -39.5 94.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.2 mp -58.16 -35.25 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.602 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.13 -47.76 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.303 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.99 85.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.163 0.506 . . . . 0.0 110.623 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 4.7 tmtp? -65.26 -46.78 79.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.06 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.69 -39.89 94.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.126 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 1.7 tpmt? -54.06 -44.48 71.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.094 0.473 . . . . 0.0 110.83 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -62.6 -54.16 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.961 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HD3' ' A' ' 11' ' ' LYS . 4.6 mm? -67.85 -32.0 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.802 -176.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.12 -46.97 86.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.217 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.72 89.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.327 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.96 -48.99 79.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.166 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.006 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.8 m -65.24 -34.28 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.023 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -53.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.701 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -33.13 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.8 -43.1 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.649 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 10.2 mmt -75.65 -46.42 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.659 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -58.21 -47.46 83.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.883 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 47' ' ' THR . 56.1 tp -66.73 -49.21 66.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.913 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.9 -37.69 87.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.949 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.06 -32.52 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.872 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 40' ' ' ILE . 54.0 tp -74.48 -37.75 63.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.227 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.76 61.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.294 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.65 -45.69 71.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.622 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -112.36 83.8 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.552 0.692 . . . . 0.0 110.099 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.86 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -85.05 173.01 7.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.232 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.86 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 9.0 Cg_exo 0.46 121.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 125.188 3.926 . . . . 0.0 115.737 -135.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.432 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 5.5 m 170.39 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 111.322 -2.672 . . . . 0.0 106.303 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.48 32.81 2.76 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.659 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.3 p-90 -62.09 -24.73 67.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 12.1 t30 -67.39 -21.47 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.264 0.554 . . . . 0.0 110.511 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 49.2 ttt-85 -96.94 2.77 52.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.694 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' B' ' 26' ' ' LEU . 11.6 tt -61.68 -39.95 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.1 mtp -71.63 -38.97 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.99 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.15 -52.95 63.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.78 -45.31 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.696 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -61.0 -46.71 89.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.5 -50.99 71.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.49 -44.83 93.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.334 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.534 HG21 HD22 ' A' ' 26' ' ' LEU . 62.9 m -61.44 -45.45 94.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.239 . . . . 0.0 110.752 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HA ' ' B' ' 38' ' ' ASN . 28.1 t80 -60.84 -51.97 67.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.323 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.782 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 26.6 mm-40 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.082 -178.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.66 48.14 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.537 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.77 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.005 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.782 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.05 -38.78 86.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.558 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 53.2 tt0 -71.27 -34.37 70.64 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.565 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.1 -49.88 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.368 . . . . 0.0 110.376 173.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.75 -42.17 95.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 20.1 mm-40 -55.15 -53.66 53.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.68 -43.34 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.462 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.2 mmp_? -67.34 -43.23 82.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.518 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.4 -41.82 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.816 -174.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.436 ' OG1' HD21 ' A' ' 8' ' ' LEU . 1.3 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.2 -53.78 13.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.577 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.99 -39.55 78.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.675 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.14 -48.54 81.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.818 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.75 -42.32 86.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.0 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.695 ' HA ' ' HE3' ' B' ' 11' ' ' LYS . 0.4 OUTLIER -66.05 -48.61 70.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 177.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.58 -43.05 84.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.827 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.89 -49.0 76.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.314 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.31 -45.52 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.855 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.22 -37.76 69.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.844 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -59.17 -52.07 67.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.103 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.73 83.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.174 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.9 -49.78 55.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.21 87.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.826 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -67.14 -35.78 80.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.291 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.45 78.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.465 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.411 HD12 HG13 ' B' ' 43' ' ' VAL . 3.7 mm? -73.47 -27.8 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -49.78 76.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.801 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 13.6 tpt -75.79 -27.65 58.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.036 0.446 . . . . 0.0 110.589 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.09 -47.69 83.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.556 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 40' ' ' ILE . 50.7 tp -62.82 -40.43 97.39 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.568 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.19 -40.38 85.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.34 -43.08 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.77 -35.12 76.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.61 62.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.772 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.55 -29.79 63.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.479 0.656 . . . . 0.0 109.914 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.99 27.28 6.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.444 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.808 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 8.9 mt -41.47 167.98 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 14.7 Cg_exo -1.17 122.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.576 0 C-N-CA 124.876 3.717 . . . . 0.0 115.255 -132.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 34' ' ' PRO . 3.1 p -179.78 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 111.756 -2.475 . . . . 0.0 106.825 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.85 39.08 2.42 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.634 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.737 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.8 p90 -54.93 -22.71 15.88 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.092 0.557 . . . . 0.0 111.963 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.659 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 8.6 t30 -58.27 -30.5 66.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.636 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.441 ' O ' HG23 ' B' ' 43' ' ' VAL . 74.2 mtp180 -97.96 4.43 49.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.661 -175.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.737 HG13 ' HA ' ' B' ' 37' ' ' TRP . 27.7 mt -56.23 -50.2 72.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.213 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.552 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 20.2 ptm -69.27 -25.49 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.486 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 31.6 tt0 -63.55 -54.11 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.194 0.521 . . . . 0.0 109.749 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 39' ' ' ARG . 15.2 t -60.63 -44.72 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.843 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.62 93.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.43 -54.15 50.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.345 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.486 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.6 mtmt -57.99 -42.05 84.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.3 m -65.05 -53.45 45.61 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.469 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 75.4 t80 -59.49 -44.45 93.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.652 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.692 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.9 tm-20 -67.18 -41.3 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.71 98.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -74.68 -29.85 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.614 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -72.48 -39.71 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.005 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -70.81 -31.02 67.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.041 0.448 . . . . 0.0 109.868 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 31.2 tp -57.94 -42.61 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.083 175.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.85 -39.55 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 27.4 mm-40 -54.91 -47.75 73.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 176.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.4 mtp180 -65.56 -41.69 92.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.178 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -70.68 -41.24 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.108 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -60.73 -50.64 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.289 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.326 -0.436 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.394 -177.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.89 0.376 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.9 -42.9 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 1.4 mp0 -61.29 -37.5 83.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.425 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.13 -39.21 91.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.426 0.29 . . . . 0.0 110.959 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -62.18 -50.29 72.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.35 . . . . 0.0 110.427 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.03 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' HE1' ' A' ' 57' ' ' PHE . 72.0 tttt -70.99 -48.33 53.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.32 -39.59 94.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.263 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.73 -46.19 91.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.274 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 1.2 tpmt? -57.88 -49.03 78.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.699 178.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.0 -43.77 91.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.031 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.57 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.78 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -64.41 -44.76 90.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.83 99.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.96 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -66.56 -42.91 86.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.86 91.61 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.75 -39.39 84.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.827 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -56.74 -50.09 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.65 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.1 mtp -66.92 -39.14 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.74 -45.69 88.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.62 -43.32 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 19.3 t-160 -60.78 -37.83 83.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.33 -36.5 61.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.594 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 43' ' ' VAL . 41.5 tp -64.18 -29.8 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.88 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.229 0.537 . . . . 0.0 110.83 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -84.55 -21.95 30.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.31 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.98 32.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.891 0.853 . . . . 0.0 110.102 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.979 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.8 mt -57.44 169.0 0.84 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.215 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.979 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 11.55 20.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.301 1 C-N-CA 127.287 5.325 . . . . 0.0 119.115 -151.083 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 33' ' ' LEU . 21.5 m -107.36 -59.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.055 0.455 . . . . 0.0 109.954 172.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.42 28.7 11.15 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.41 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.656 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.0 p-90 -63.51 -22.45 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 111.422 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -67.44 -20.95 65.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.402 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -104.34 5.27 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.99 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.656 HG13 ' HA ' ' A' ' 37' ' ' TRP . 23.5 mt -56.79 -46.04 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 tpp -57.28 -46.01 83.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.257 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.1 tt0 -62.15 -55.94 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG21 HD22 ' A' ' 29' ' ' LEU . 44.7 t -58.74 -45.17 91.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.916 -177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.438 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 33.4 tt0 -58.59 -51.26 70.66 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.272 0.358 . . . . 0.0 110.491 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 53.2 mtmt -59.61 -47.05 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.431 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' CE2' ' A' ' 51' ' ' TYR . 27.1 m -61.87 -43.32 99.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -65.2 -44.56 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.636 0.255 . . . . 0.0 110.539 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.99 -36.09 78.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -45.07 87.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.993 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CE2' HG22 ' A' ' 47' ' ' THR . 21.3 m-85 -61.94 -42.24 98.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.874 0.369 . . . . 0.0 110.033 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -56.78 -55.46 33.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.643 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -62.78 -30.63 71.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.567 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.91 -44.2 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 25.4 t70 -69.41 -35.03 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.692 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 59' ' ' LYS . 31.0 mt-10 -72.92 -22.75 60.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.867 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HE1' ' HD3' ' A' ' 11' ' ' LYS . 70.3 t80 -71.12 -40.48 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 170.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 3.9 mmp_? -56.09 -46.65 78.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.394 171.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 12.1 tmtt? -61.48 -38.08 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.32 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -66.63 -41.96 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -174.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.988 0.423 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.52 -50.55 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.314 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.2 -39.03 91.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.53 -48.44 74.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.76 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.79 -51.64 67.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.217 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.68 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 36.5 ttmt -72.99 -45.52 57.46 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.706 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -54.49 -45.2 73.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 110.119 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.7 -48.55 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.528 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.65 -47.4 84.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.153 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 82.8 mt -64.57 -43.17 94.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -60.49 -44.86 95.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.005 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.82 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.757 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.5 -46.99 85.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.78 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.0 m -74.56 -36.59 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.6 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.88 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.944 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.415 HD12 HG13 ' B' ' 43' ' ' VAL . 4.1 mm? -63.92 -39.49 94.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 33' ' ' LEU . 85.1 tttt -57.64 -42.05 82.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.738 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 90.1 mtp -69.8 -52.95 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.058 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.6 -33.45 75.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.472 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.61 -36.55 78.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -65.82 -45.38 82.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -61.13 -43.56 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' B' ' 40' ' ' ILE . 52.5 tp -63.42 -44.18 95.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.453 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 27' ' ' HIS . . . -68.72 -30.75 69.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.88 -176.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.81 -34.23 21.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.374 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.77 26.39 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.143 0.497 . . . . 0.0 110.602 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.999 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -42.05 174.45 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.675 1.19 . . . . 0.0 113.941 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.999 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.62 20.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.299 1 C-N-CA 126.302 4.668 . . . . 0.0 118.445 -145.595 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -125.33 134.69 52.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 159.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 15.07 66.35 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.594 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.419 ' HA ' HG13 ' B' ' 40' ' ' ILE . 29.2 p90 -57.0 -21.12 28.17 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -63.48 -22.11 66.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.01 0.433 . . . . 0.0 110.961 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -92.86 -2.62 55.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.005 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.542 ' HA ' HD21 ' B' ' 29' ' ' LEU . 66.3 mt -57.05 -48.53 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 93.1 mmm -68.38 -37.47 80.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.079 -178.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.559 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 13.0 tt0 -65.31 -54.34 30.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.415 HG13 HD12 ' B' ' 22' ' ' LEU . 87.9 t -59.88 -48.21 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.602 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.25 -45.14 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.839 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 49' ' ' GLU . 16.3 tm-20 -59.23 -54.82 42.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.1 mtmt -65.5 -37.1 85.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -64.35 -46.07 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.327 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.617 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 84.4 t80 -61.15 -48.8 79.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.316 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 45' ' ' GLU . 15.3 mm-40 -62.16 -42.59 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.955 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.13 65.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.465 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.65 -28.68 67.92 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.541 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' B' ' 48' ' ' TYR . 32.9 mtm105 -61.49 -58.15 9.31 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.951 0.881 . . . . 0.0 109.737 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.71 -37.17 83.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.211 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.03 -45.75 91.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 0.0 110.843 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 24.3 t70 -66.38 -42.96 87.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.67 -34.69 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.3 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.88 -34.76 73.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -65.95 -37.06 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 74.7 mmtt -59.41 -46.53 88.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.36 0.6 . . . . 0.0 109.869 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -61.86 -45.2 94.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.241 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 48.0 m . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.1 179.416 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.114 0 CA-C-O 121.393 0.616 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.02 -48.12 54.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.309 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.45 -39.88 92.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.861 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 3.0 tt -57.26 -51.74 68.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.42 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -58.57 -51.48 69.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.965 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.32 88.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.276 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 ttmt -74.33 -49.34 23.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.736 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.44 -39.07 89.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -60.26 -42.76 96.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 110.078 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.4 -44.73 70.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.764 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 74.9 mt -66.31 -41.92 88.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.93 -43.12 99.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.48 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.33 97.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.29 -47.72 83.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.32 90.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -62.63 -39.32 93.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.64 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.64 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.09 -33.84 74.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.434 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -57.77 -47.01 83.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.624 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtt -75.18 -35.34 61.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.836 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.61 -51.45 69.77 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.175 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HA ' HG11 ' A' ' 43' ' ' VAL . 61.4 tp -65.68 -44.54 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -61.74 -34.09 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.7 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.5 -49.42 75.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.097 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.21 -36.7 58.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.081 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.97 62.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.314 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.34 -37.81 74.74 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.0 90.36 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.462 0.649 . . . . 0.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.719 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 4.9 mt -67.28 -179.83 0.48 Allowed Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HA ' ' HB3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER 17.33 -86.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.699 0 C-N-CA 124.296 3.331 . . . . 0.0 114.281 -130.213 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.9 m 35.88 -87.69 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -166.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.85 42.66 1.91 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.752 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 50.1 p-90 -51.17 -27.5 8.84 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.002 0.921 . . . . 0.0 112.544 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 11.9 t30 -64.82 -20.94 66.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.862 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 ttt180 -101.11 -0.41 36.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.438 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.71 HG13 ' HA ' ' A' ' 37' ' ' TRP . 46.4 mt -53.75 -44.04 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.694 0.283 . . . . 0.0 111.405 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.4 tpp -56.79 -47.38 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.426 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 32.2 tt0 -62.51 -54.31 41.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.189 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 26' ' ' LEU . 25.5 t -55.42 -49.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.441 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.33 92.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.453 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -48.33 82.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 52.9 mtmt -60.08 -43.38 95.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -62.16 -47.88 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.9 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.5 -53.02 62.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.676 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.66 96.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.49 -39.18 74.34 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.524 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 45.1 ttt180 -66.62 -49.47 66.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.926 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -55.35 -38.87 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.228 0.33 . . . . 0.0 111.218 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -47.55 84.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.74 -42.31 97.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.755 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 12.1 mm-40 -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.598 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 67.7 t80 -62.49 -40.31 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.223 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.4 mmp_? -61.21 -46.88 88.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.244 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -64.24 -52.61 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.312 -174.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.228 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.52 -55.55 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.93 -33.41 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.544 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.673 ' HG ' ' HZ ' ' B' ' 57' ' ' PHE . 6.6 mp -62.15 -37.93 87.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.494 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.4 -49.75 74.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.202 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -67.67 -51.26 51.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.96 -38.01 89.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.604 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.24 -42.83 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.92 0.391 . . . . 0.0 110.35 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -65.39 -42.16 92.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.362 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.0 -40.83 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 110.483 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.9 -48.54 81.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.671 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.91 98.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.54 -51.84 68.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.349 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -60.5 -31.08 70.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.465 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -74.97 -41.24 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.757 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.42 93.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.78 -34.13 77.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.928 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 19.7 ttpp -60.86 -42.12 97.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.097 0.475 . . . . 0.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -71.56 -41.52 68.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.42 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.49 -46.72 72.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.333 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -70.77 -34.24 71.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.863 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.35 -37.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.94 -28.44 65.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.511 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.69 -31.25 72.36 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -81.9 -33.11 30.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.642 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -89.16 20.88 3.45 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.888 0.851 . . . . 0.0 110.241 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.97 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 9.7 mt -57.06 169.05 0.73 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.036 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.97 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 13.17 20.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.33 1 C-N-CA 127.339 5.359 . . . . 0.0 118.881 -152.282 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.8 m -103.16 -54.75 2.55 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 166.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.18 35.39 5.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.776 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.604 ' HA ' HG13 ' B' ' 40' ' ' ILE . 6.9 p-90 -60.76 -18.87 57.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.9 -17.56 64.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.379 0.609 . . . . 0.0 110.792 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.604 ' HG3' HG23 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -97.7 -12.74 22.01 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.493 -174.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' B' ' 37' ' ' TRP . 83.0 mt -52.96 -53.92 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.3 mtp -68.65 -39.37 80.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.77 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.94 -44.79 79.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.894 0.378 . . . . 0.0 110.598 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' B' ' 39' ' ' ARG . 85.9 t -61.89 -52.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.01 78.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.379 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 38.6 tt0 -60.79 -57.04 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -60.2 -35.75 76.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.102 -178.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 61.7 m -61.77 -47.17 86.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 28.4 t80 -65.38 -44.67 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 55.2 mt-10 -57.75 -47.74 81.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.21 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.562 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . 0.457 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 14.3 m-85 -65.51 -38.59 90.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -61.72 -55.45 30.22 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.586 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.32 -36.51 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.085 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.65 -44.85 95.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.697 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' B' ' 58' ' ' ARG . 33.6 t70 -74.25 -30.85 62.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.51 -51.53 68.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.801 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.673 ' HZ ' ' HG ' ' B' ' 8' ' ' LEU . 71.0 t80 -62.39 -38.17 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.283 0.563 . . . . 0.0 109.637 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' B' ' 55' ' ' ASP . 58.2 ttt180 -56.07 -49.89 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.766 176.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -63.32 -42.16 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -61.97 -47.12 86.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.547 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -50.96 68.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.19 -42.76 96.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.633 0.73 . . . . 0.0 109.48 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.8 mp -60.03 -47.85 84.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.802 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -66.83 -43.31 84.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.033 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.682 ' O ' ' HG2' ' A' ' 14' ' ' LYS . . . -67.44 -44.78 77.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.358 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' HG2' HD23 ' A' ' 15' ' ' LEU . 48.5 tttp -70.87 -38.45 73.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.71 -45.59 89.22 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.14 -44.98 92.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.996 0.427 . . . . 0.0 110.488 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.2 mmmm -57.69 -51.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.549 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.9 mm? -63.37 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.554 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.5 -46.39 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.463 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.29 96.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.974 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.85 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.378 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.02 91.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.079 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -64.88 -38.89 92.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.789 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.69 -37.24 70.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' B' ' 33' ' ' LEU . 60.1 tttm -55.38 -48.65 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.3 ptm -75.2 -30.23 60.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -70.12 -44.82 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.938 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 47' ' ' THR . 54.2 tp -57.67 -43.09 84.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.272 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 21.8 t-80 -63.9 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.324 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.14 -35.15 66.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.73 -38.75 87.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.311 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -67.26 -28.53 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.811 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 44.5 mt-10 -79.19 -42.04 26.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -89.02 29.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 110.594 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.991 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.9 mt -53.44 177.13 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.705 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 22.79 20.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.456 4.771 . . . . 0.0 118.475 -146.249 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.498 ' H ' ' C ' ' A' ' 33' ' ' LEU . 2.2 m -132.52 147.77 52.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.98 14.81 64.0 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.899 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -54.34 -29.2 47.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.061 0.431 . . . . 0.0 112.03 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.27 -28.18 67.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.055 0.455 . . . . 0.0 110.749 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 43' ' ' VAL . 29.9 ttt180 -85.6 -10.18 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.17 -41.22 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.662 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.562 ' HE1' ' HA ' ' B' ' 45' ' ' GLU . 2.2 mmt -64.13 -50.99 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.379 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.4 tt0 -60.3 -47.24 86.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.193 0.52 . . . . 0.0 110.69 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG2' ' A' ' 39' ' ' ARG . 87.7 t -60.51 -53.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.481 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.79 78.07 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.6 -56.68 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.578 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 50.3 mtmt -62.38 -37.22 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.541 HG21 HD22 ' A' ' 26' ' ' LEU . 85.4 m -59.55 -47.55 85.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.592 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' HA ' ' HE1' ' B' ' 37' ' ' TRP . 78.8 t80 -72.94 -48.56 35.82 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.017 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -62.73 -39.15 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -174.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.6 68.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.711 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.11 -30.35 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.24 0.543 . . . . 0.0 110.033 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.07 -46.4 61.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.61 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.39 -30.67 71.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 4.9 mp -53.5 -46.4 70.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.55 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.4 -34.14 63.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.925 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.874 0.369 . . . . 0.0 110.193 174.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 8' ' ' LEU . 87.7 t80 -59.24 -45.98 89.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.76 174.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 60.7 mtp85 -63.31 -35.07 79.14 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.683 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -58.7 -46.42 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -67.43 -59.95 2.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.856 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.898 -173.388 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . . . . . . 0 C--O 1.222 -0.387 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.8 -55.71 17.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.468 0.652 . . . . 0.0 110.501 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.58 -33.67 74.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.586 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 5' ' ' ALA . 76.1 mt -65.34 -40.4 93.61 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.454 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 5.7 mmtp -68.74 -35.07 76.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.36 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.511 . . . . 0.0 109.828 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -60.99 -50.01 75.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.94 -42.18 84.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.42 -43.83 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 110.273 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.23 -42.79 91.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.384 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.91 -42.5 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.636 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -60.8 -46.06 91.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.5 96.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.4 -45.48 94.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.126 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.89 98.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.717 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -61.44 -41.33 97.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.489 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.33 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.771 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.53 -29.75 70.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.14 -52.5 64.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.607 0.242 . . . . 0.0 110.528 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.1 ptm -72.95 -29.23 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.68 -52.89 54.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.139 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.39 -39.5 89.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.466 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 32.1 t-80 -53.85 -54.1 43.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' B' ' 31' ' ' GLU . 0.6 OUTLIER -73.97 -26.21 60.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.503 -176.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.498 HD22 HG21 ' B' ' 43' ' ' VAL . 50.1 tp -63.24 -47.44 82.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.187 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.09 -25.6 62.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.747 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.405 ' HB3' ' HA ' ' B' ' 28' ' ' ASP . 18.7 tp10 -76.34 -26.42 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.435 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -102.71 28.27 6.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.736 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.814 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.7 mt -41.89 168.5 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 18.9 Cg_exo -2.66 122.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 124.804 3.669 . . . . 0.0 115.02 -132.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m 156.43 -52.67 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 111.926 -2.397 . . . . 0.0 107.7 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.49 28.06 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.13 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.758 ' HE3' ' HD3' ' B' ' 34' ' ' PRO . 4.1 t-105 -59.19 -29.15 67.26 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.267 0.556 . . . . 0.0 109.986 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 63.7 t30 -64.28 -27.21 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.466 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' B' ' 43' ' ' VAL . 60.1 ttt180 -94.38 2.35 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -47.66 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.681 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 48.4 ttm -62.59 -44.61 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.818 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.686 ' HG2' ' HD3' ' B' ' 46' ' ' LYS . 10.4 tt0 -58.76 -59.2 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.498 HG21 HD22 ' B' ' 29' ' ' LEU . 93.4 t -56.25 -41.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.827 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.35 92.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.165 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.562 ' HA ' ' HE1' ' A' ' 41' ' ' MET . 33.7 mt-10 -60.82 -45.24 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.686 ' HD3' ' HG2' ' B' ' 42' ' ' GLU . 39.0 mtpt -62.85 -40.33 97.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.363 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.9 m -65.89 -48.82 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.732 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.573 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.25 -44.53 83.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.298 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 54' ' ' LEU . . . -64.8 -41.5 95.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -73.87 -30.89 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.75 -52.11 67.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.959 0.409 . . . . 0.0 109.939 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -65.67 -38.11 88.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 50' ' ' ALA . 0.4 OUTLIER -60.16 -51.25 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 -178.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 33.3 t70 -72.83 -34.93 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.632 0.254 . . . . 0.0 110.828 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.58 -47.07 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 110.615 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.14 -38.29 87.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.445 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.467 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 36.3 ttt180 -58.2 -44.56 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.067 178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.3 mmtt -62.85 -48.4 79.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.169 0.509 . . . . 0.0 110.1 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.2 t -60.87 -56.87 16.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.519 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.55 -52.55 63.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.12 -38.97 90.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.77 -49.95 75.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.881 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.23 -47.89 84.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.72 94.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -65.59 -52.62 50.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.764 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 57' ' ' PHE . 64.2 tp -60.5 -39.38 87.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.481 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -59.58 -47.93 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.532 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.9 -44.46 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.382 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.81 -47.95 81.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.881 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.0 -44.47 95.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.284 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.995 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 28.4 m -64.96 -32.92 74.87 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.57 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 33' ' ' LEU . 55.3 tttp -55.09 -52.46 63.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -75.21 -30.52 60.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.134 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -43.25 76.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.545 0.212 . . . . 0.0 110.938 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.43 -40.15 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' B' ' 31' ' ' GLU . 30.1 t-80 -57.86 -47.01 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.034 177.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.72 -34.73 76.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 40' ' ' ILE . 50.2 tp -64.48 -49.75 70.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.68 -25.25 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.953 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.99 -28.14 63.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.337 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.66 25.81 5.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -46.96 173.95 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.953 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.55 19.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 1 C-N-CA 126.037 4.491 . . . . 0.0 117.878 -141.742 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.555 ' H ' ' C ' ' A' ' 33' ' ' LEU . 1.4 m -137.68 151.44 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 163.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.88 12.78 37.23 Favored Glycine 0 C--N 1.319 -0.4 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.919 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HE1' ' HA ' ' B' ' 48' ' ' TYR . 3.7 t-105 -57.4 -31.9 66.3 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.265 0.555 . . . . 0.0 110.137 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 52.2 t30 -60.23 -31.05 69.81 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.173 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -82.41 -9.0 59.62 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.514 ' HA ' HD21 ' A' ' 29' ' ' LEU . 35.9 mt -53.99 -49.34 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.102 0.251 . . . . 0.0 111.507 -177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.11 -27.87 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.48 -60.43 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.601 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -41.41 84.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.23 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.52 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.212 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.557 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 38.1 tt0 -63.47 -46.94 83.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.197 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -61.46 -45.12 95.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.52 -51.89 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.624 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.42 -41.05 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.895 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 54' ' ' LEU . . . -64.02 -49.75 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.241 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -69.21 -34.53 75.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.045 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -60.2 -55.46 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.89 -30.83 71.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.266 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 6.5 tt -62.54 -51.05 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 1.017 ' HA ' ' HG2' ' A' ' 58' ' ' ARG . 23.0 t70 -69.8 -33.96 73.07 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.847 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.21 -28.73 67.51 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.927 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.4 ' HD2' HD13 ' A' ' 12' ' ' LEU . 28.3 t80 -77.36 -40.08 45.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 1.017 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 2.1 ptm180 -71.23 -32.12 68.4 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -59.73 -43.77 94.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.024 0.44 . . . . 0.0 110.09 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 t -61.0 -51.97 66.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.089 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 58' ' ' ARG . 7.3 t . . . . . 0 C--N 1.324 -0.524 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.693 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' B' ' 8' ' ' LEU . . . . . . . . 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.13 -44.04 85.39 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.23 0.538 . . . . 0.0 110.447 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.07 -37.92 81.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.024 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' B' ' 5' ' ' ALA . 61.0 mt -59.16 -48.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.569 176.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.27 -49.83 76.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.05 71.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -66.76 -53.46 32.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 55.5 tp -61.68 -40.83 96.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 110.148 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -48.29 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -65.02 -39.93 94.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.01 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.89 -41.13 91.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -58.72 -48.69 80.3 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.038 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.44 90.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.012 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.81 -47.73 83.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.41 81.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -39.27 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.872 0.367 . . . . 0.0 110.978 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.68 90.03 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.542 ' HB3' ' OG1' ' B' ' 47' ' ' THR . 4.3 mm? -72.62 -34.8 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.617 ' HG3' HD13 ' A' ' 33' ' ' LEU . 78.5 tttt -53.24 -53.59 48.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.426 178.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptm -69.58 -31.86 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.388 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -69.09 -43.96 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.737 0.303 . . . . 0.0 110.406 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.09 -40.17 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.498 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 23.2 t-160 -61.29 -39.69 91.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.181 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.14 -49.33 36.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.191 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.1 -33.77 71.23 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.677 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.9 tt0 -86.03 -35.53 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.116 0.484 . . . . 0.0 110.201 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.73 25.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.934 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 13.2 mt -49.74 169.38 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.698 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.9 Cg_exo -1.33 121.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 124.785 3.657 . . . . 0.0 115.36 -134.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.3 m 168.38 -51.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.227 -2.715 . . . . 0.0 105.435 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.02 36.2 2.25 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.636 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . 0.549 ' HA ' HG13 ' B' ' 40' ' ' ILE . 64.9 p-90 -64.84 -20.72 66.55 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -67.03 -17.84 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.35 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.545 ' HG2' HG23 ' B' ' 43' ' ' VAL . 28.3 ttt180 -97.36 -4.34 38.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.254 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' B' ' 37' ' ' TRP . 73.4 mt -54.99 -51.98 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.557 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 97.8 mmm -66.96 -42.73 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.346 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' B' ' 39' ' ' ARG . 72.0 t -57.58 -52.57 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.05 68.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.092 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.95 -51.88 67.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.904 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.45 -42.89 78.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.641 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.66 HG22 ' CZ2' ' A' ' 37' ' ' TRP . 17.3 m -63.97 -45.85 87.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.791 ' HA ' ' HE1' ' A' ' 37' ' ' TRP . 44.2 t80 -65.02 -44.75 88.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -49.66 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.553 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.82 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -67.8 -34.14 76.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 52' ' ' ARG . 10.0 mmt85 -62.58 -56.6 16.37 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.25 -34.98 74.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.63 -49.99 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.37 -43.24 96.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 48.9 t80 -67.36 -36.09 80.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.045 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -65.81 -44.77 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 110.107 172.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.7 m -60.67 -54.16 48.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.495 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.41 -175.063 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 121.094 0.473 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -160.29 141.25 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.689 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -133.92 140.92 47.11 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.89 172.56 49.98 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.687 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.74 78.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -65.1 -48.78 72.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.103 0.477 . . . . 0.0 110.167 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.61 -40.1 86.42 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.552 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.2 -51.56 69.04 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.783 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -62.37 -48.7 78.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.023 0.439 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 80.9 tttt -68.12 -47.69 67.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.464 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 tp -61.48 -42.01 98.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.455 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.61 -45.55 93.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.447 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -56.89 -47.61 80.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.661 175.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 85.2 mt -66.05 -39.54 90.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.377 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.14 -50.23 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.052 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.26 -50.7 70.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 -41.74 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.462 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -64.66 -45.49 86.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.775 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.88 79.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 0.0 111.115 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 46' ' ' LYS . 90.1 mt -63.82 -41.68 97.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.788 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HG2' HD13 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -62.83 -39.02 93.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -72.36 -40.5 67.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.556 0.217 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 -33.16 72.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.39 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.94 -40.37 96.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.342 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -58.93 -38.73 79.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.409 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.64 -38.26 59.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.88 -32.26 73.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -29.81 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -85.61 -21.64 28.36 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.334 0.588 . . . . 0.0 110.312 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -89.55 29.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.903 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.933 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.1 mt -56.02 167.86 0.79 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.732 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.933 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 10.77 20.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.489 1 C-N-CA 127.41 5.407 . . . . 0.0 119.136 -153.176 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.51 ' H ' ' C ' ' A' ' 33' ' ' LEU . 6.3 m -103.6 -55.86 2.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 167.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 28.85 13.2 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.524 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HA ' HG13 ' A' ' 40' ' ' ILE . 9.3 p-90 -60.2 -25.21 65.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.83 -14.95 60.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 110.137 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 33.8 ttt180 -105.87 1.82 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.316 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.613 HG13 ' HA ' ' A' ' 37' ' ' TRP . 77.5 mt -54.07 -51.63 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 81.9 mtp -69.93 -24.91 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.54 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 32.9 tt0 -62.29 -62.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.13 0.491 . . . . 0.0 110.354 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.85 -32.13 56.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.626 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.65 84.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.974 0.416 . . . . 0.0 110.511 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.08 -50.18 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.216 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -59.4 -45.03 92.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.637 -175.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.8 m -63.77 -44.35 93.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.15 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.57 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 1.6 tm-20 -65.96 -41.28 91.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.671 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.18 95.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.72 0.295 . . . . 0.0 111.167 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.43 ' HE2' ' HB2' ' A' ' 23' ' ' LYS . 24.3 m-85 -74.77 -29.15 61.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -71.41 -39.42 71.13 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.39 -34.73 74.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.038 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 58.1 tp -60.1 -43.85 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.734 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.24 -40.08 86.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.576 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 24.4 mm-40 -57.91 -37.18 73.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.507 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -67.85 -44.15 77.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.276 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 24.8 mtm180 -61.32 -44.18 97.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.463 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.723 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 17.4 ptmt -70.02 -32.83 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.892 0.377 . . . . 0.0 110.989 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 m -75.75 -42.08 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -71.42 -26.88 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.274 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.738 ' HA ' ' HB3' ' A' ' 67' ' ' HIS . . . -62.05 -50.46 71.89 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.422 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 t -63.6 -31.65 72.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.435 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -71.29 -48.39 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.379 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 67' ' ' HIS . 41.2 mt-10 -73.43 -13.97 61.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.195 -177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 67.22 27.25 8.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -165.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 62' ' ' ALA . 2.9 t-160 -78.51 96.39 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.698 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -121.28 -2.77 9.52 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.012 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -133.44 169.11 17.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 111.193 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -100.77 -177.48 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.957 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.668 176.294 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -153.33 132.52 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.342 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -93.84 128.77 40.29 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.011 0.91 . . . . 0.0 111.297 -174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.409 ' O ' HD13 ' B' ' 8' ' ' LEU . . . -122.71 113.93 2.31 Favored Glycine 0 C--N 1.315 -0.629 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.059 174.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.45 64.0 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -170.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -73.5 -47.42 41.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.673 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.13 -31.94 66.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.409 HD13 ' O ' ' B' ' 4' ' ' GLY . 6.6 mp -64.86 -38.89 92.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.199 173.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -65.4 -40.13 93.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.378 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.26 96.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.385 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -50.73 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.02 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 65.0 tp -60.68 -41.62 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.717 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.57 -49.27 76.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -62.09 -36.09 80.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.865 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.62 -41.68 68.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.17 -51.58 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.375 . . . . 0.0 110.17 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.15 80.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 27.3 tt0 -67.58 -50.75 56.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.21 89.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.88 -42.35 97.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.84 92.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 78.4 mt -69.94 -31.14 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.012 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -66.48 -47.36 73.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -69.83 -33.66 72.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.98 -45.99 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.17 -43.29 98.66 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.62 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 66.4 t60 -59.46 -44.59 92.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.484 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -43.09 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.045 177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' B' ' 40' ' ' ILE . 45.2 tp -66.18 -34.56 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.86 95.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 6.6 pt-20 -86.38 -21.48 27.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.195 0.521 . . . . 0.0 111.443 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -83.52 18.09 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.648 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.0 mt -48.88 173.38 0.07 OUTLIER Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.45 19.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.388 1 C-N-CA 126.349 4.699 . . . . 0.0 117.945 -144.583 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 33' ' ' LEU . 5.4 m -130.47 154.54 47.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 159.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.37 9.47 17.15 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.815 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 24.8 p90 -55.75 -25.9 43.04 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.11 0.455 . . . . 0.0 111.614 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -72.05 -16.06 62.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.715 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.473 ' HG2' HG23 ' B' ' 43' ' ' VAL . 45.3 ttt180 -107.78 3.08 24.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.533 -176.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 61.7 mt -56.79 -51.59 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 49.1 ttm -66.21 -35.75 81.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE3' ' B' ' 46' ' ' LYS . 34.2 tt0 -60.86 -60.05 4.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.821 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' B' ' 39' ' ' ARG . 48.9 t -61.33 -43.52 96.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.112 -177.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.67 80.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.315 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.28 -43.12 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.26 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HG2' ' B' ' 42' ' ' GLU . 96.3 mttt -56.73 -50.08 73.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.987 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 9.6 m -63.83 -41.9 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.052 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -65.25 -46.82 79.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.872 0.368 . . . . 0.0 110.649 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.5 tp10 -61.5 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . -61.09 -47.15 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -61.81 -42.86 99.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 1.1 ppt_? -66.06 -33.11 75.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.006 -178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -76.1 -34.35 59.51 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.581 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 50' ' ' ALA . 73.9 mt -62.39 -49.57 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.095 0.474 . . . . 0.0 109.818 174.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' B' ' 59' ' ' LYS . 20.2 t70 -59.81 -43.04 94.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.324 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -55.2 -54.72 39.71 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.508 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 91.7 t80 -59.94 -39.9 87.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.228 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -61.72 -38.36 87.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.168 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' B' ' 55' ' ' ASP . 0.9 OUTLIER -73.88 -42.85 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 177.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m -64.51 -48.5 74.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.679 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t -64.51 -30.22 71.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.968 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 66' ' ' HIS . . . -71.8 -41.13 68.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.91 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -66.21 -39.19 89.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.131 0.491 . . . . 0.0 110.462 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.4 mm? -76.78 -46.51 24.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.821 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -71.75 -11.14 60.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.629 . . . . 0.0 110.818 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' B' ' 62' ' ' ALA . 9.6 t-160 -81.62 -2.32 49.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.888 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -108.53 -171.79 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 172.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -156.16 114.94 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.938 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -79.48 131.7 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.924 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -91.33 138.04 31.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.533 177.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -110.08 151.6 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.58 116.33 27.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.8 154.67 25.73 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.661 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.68 -19.65 65.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 111.812 -176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.53 -55.16 12.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 111.271 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -69.72 -29.76 67.22 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.542 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.3 -48.88 77.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -61.68 -44.33 97.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.41 98.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.245 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -73.7 -45.23 53.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.283 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.15 -42.76 86.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -53.32 -51.21 63.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.526 . . . . 0.0 110.66 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 13.2 tppt? -60.49 -49.5 77.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.256 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 54' ' ' LEU . 93.2 mt -65.82 -42.16 90.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.266 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.67 -45.22 93.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.82 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.859 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.94 -42.85 94.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.963 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.39 92.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.799 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 m -64.57 -37.01 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.29 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.054 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mm? -67.43 -31.67 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.255 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.673 ' HG2' HD13 ' B' ' 33' ' ' LEU . 12.8 tmtt? -56.78 -44.82 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 0.0 109.673 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 44.0 ttp -75.47 -42.42 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.274 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.51 -40.95 89.48 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.535 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.72 -38.42 90.39 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 25.8 t-80 -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.93 -41.7 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.704 0.288 . . . . 0.0 111.247 -177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 43' ' ' VAL . 36.6 tp -74.05 -29.05 61.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.91 -26.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.964 0.411 . . . . 0.0 110.931 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 7.0 mm-40 -80.83 -45.41 16.95 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.096 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -90.49 49.3 1.66 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.808 0.813 . . . . 0.0 110.529 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.9 mt -67.37 171.17 5.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.431 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.858 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 29.0 Cg_exo -3.06 121.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.495 0 C-N-CA 125.001 3.801 . . . . 0.0 115.338 -136.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m 160.99 -51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.206 -2.725 . . . . 0.0 106.147 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.0 24.99 9.09 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.188 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.639 ' HA ' HG13 ' A' ' 40' ' ' ILE . 52.7 p-90 -58.39 -24.59 60.41 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.3 0.64 . . . . 0.0 112.128 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -63.87 -24.11 67.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.056 0.455 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -104.2 5.75 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.351 -174.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.639 HG13 ' HA ' ' A' ' 37' ' ' TRP . 64.6 mt -55.72 -51.12 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.236 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 60.0 tpp -56.0 -45.64 78.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.002 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.8 tt0 -56.97 -54.92 41.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG21 HD22 ' A' ' 29' ' ' LEU . 42.6 t -58.92 -44.83 91.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.713 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.937 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.74 -47.57 85.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.182 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 54.6 mtmt -66.47 -30.57 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.227 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.535 ' O ' ' HD2' ' A' ' 51' ' ' TYR . 61.0 m -68.32 -50.19 55.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.915 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 64.6 t80 -67.63 -37.77 82.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.179 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 9.6 pt-20 -58.34 -45.6 87.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.84 0.352 . . . . 0.0 110.659 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -65.94 -47.03 76.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.566 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HD2' ' O ' ' A' ' 47' ' ' THR . 47.4 m-85 -64.84 -39.27 93.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 16.4 tpp180 -60.75 -55.24 35.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.689 175.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 12.9 mm-40 -59.34 -37.64 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.557 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 15' ' ' LEU . 65.6 tp -60.51 -51.41 69.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.557 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 38.1 t70 -68.43 -38.89 81.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.528 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 57.1 mm-40 -55.96 -48.72 75.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.578 176.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -61.65 -41.21 97.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.295 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' ASP . 65.1 mtp180 -63.77 -37.8 88.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.585 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 32.1 mmtp -74.14 -39.87 62.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.442 . . . . 0.0 110.816 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -61.7 -50.0 74.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.196 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.1 t -73.39 -29.2 62.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.408 -175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . . . -54.92 -37.73 66.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.179 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -66.11 -46.27 78.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.653 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 64' ' ' LEU . 3.9 mm? -70.94 -25.71 62.86 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.359 -178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 62' ' ' ALA . 46.1 mt-10 -70.07 -7.79 44.15 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.59 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 63.7 t60 66.75 29.27 8.65 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 66' ' ' HIS . 51.7 m170 66.88 104.26 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.615 -170.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -56.55 99.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.809 0.814 . . . . 0.0 112.406 -173.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -82.98 123.88 29.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.086 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -78.31 174.27 11.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.301 0.572 . . . . 0.0 111.55 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.5 t60 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.435 178.21 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.0 p -128.56 159.46 35.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.724 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.27 112.69 16.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.333 0.587 . . . . 0.0 110.106 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 144.96 13.24 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.891 0.345 . . . . 0.0 111.644 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.76 -55.35 20.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.566 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.16 -35.53 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.446 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' B' ' 57' ' ' PHE . 50.2 mt -63.57 -42.4 98.32 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.358 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -71.49 -36.71 71.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.35 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.84 91.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -62.47 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.66 -40.52 87.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.25 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.66 -47.91 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.569 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 14' ' ' LYS . 14.4 tppt? -56.56 -49.73 73.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.247 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.3 mm? -65.63 -44.22 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.142 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -61.55 -43.82 98.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.229 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.39 84.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.79 -43.25 99.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.466 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -64.22 -35.76 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.8 m -71.57 -34.51 70.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.164 0.507 . . . . 0.0 110.402 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.63 84.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' B' ' 25' ' ' ASP . 95.8 mt -70.6 -26.85 63.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.993 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.516 ' HE3' HD12 ' A' ' 33' ' ' LEU . 1.3 tmtp? -57.25 -50.84 71.62 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -75.75 -27.58 58.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.981 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' B' ' 22' ' ' LEU . 24.6 t0 -64.97 -48.36 74.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.31 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.24 -38.28 78.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.739 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -59.45 -46.54 88.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.85 -38.39 88.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.502 HD22 HG21 ' B' ' 43' ' ' VAL . 58.8 tp -66.01 -37.11 85.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.32 70.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.212 0.529 . . . . 0.0 110.61 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.03 -22.39 29.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.97 6.45 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.516 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.008 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.4 mt -41.54 171.37 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.59 1.156 . . . . 0.0 114.034 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 1.008 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 19.84 20.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 1 C-N-CA 126.089 4.526 . . . . 0.0 117.93 -144.506 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.557 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.3 m -138.34 153.25 48.97 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 162.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.72 8.44 2.87 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.425 -0.417 . . . . 0.0 113.968 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -60.67 -19.22 57.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 112.195 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.41 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 65.2 t30 -72.73 -22.84 60.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.069 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.66 -12.13 59.83 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.807 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.481 ' HA ' HD21 ' B' ' 29' ' ' LEU . 52.2 mt -52.47 -45.94 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.719 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -59.96 -45.7 91.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.984 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.469 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 34.1 tt0 -63.86 -55.45 22.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.657 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.502 HG21 HD22 ' B' ' 29' ' ' LEU . 40.6 t -60.42 -44.65 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.272 -177.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.61 99.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.25 -48.72 80.16 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.169 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.469 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.1 mtmt -56.93 -48.63 77.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -58.94 -47.5 84.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.353 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -65.14 -49.31 70.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -58.92 -36.95 75.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.664 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.2 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.188 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 22.5 m-85 -65.88 -31.46 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.977 0.417 . . . . 0.0 110.766 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.13 -55.61 20.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.521 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.41 83.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.588 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.48 -49.85 75.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' B' ' 58' ' ' ARG . 29.1 t70 -68.76 -29.05 67.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.33 -50.24 66.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.672 0.272 . . . . 0.0 110.887 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.449 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 10.3 t80 -72.15 -28.26 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.524 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 69.2 ttt180 -58.52 -51.23 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 172.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 58.4 mmtt -55.93 -46.45 78.49 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -60.21 -59.62 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.009 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.0 m -68.48 -48.05 65.48 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.36 -25.72 66.93 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 111.568 -172.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -73.31 -39.94 64.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.3 -23.71 54.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.94 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 68' ' ' HIS . 32.2 mt-10 -78.36 -1.73 34.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.467 176.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.5 t60 65.31 41.92 4.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 63.97 87.93 0.11 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.608 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.661 ' HB2' ' HB3' ' B' ' 65' ' ' GLU . 18.5 t60 -95.18 -10.0 31.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.855 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 78.1 t60 64.7 -78.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.227 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -179.89 106.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.365 -0.38 . . . . 0.0 109.984 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.48 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 53.5 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.328 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.907 0.384 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -136.51 142.16 43.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.61 115.21 22.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.394 0.616 . . . . 0.0 110.179 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 8' ' ' LEU . . . -131.73 151.18 19.7 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.562 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -24.46 64.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.66 -49.66 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.242 0.544 . . . . 0.0 110.116 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.64 -36.85 85.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.159 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 4' ' ' GLY . 67.1 mt -62.69 -48.02 81.12 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.605 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -62.36 -43.57 98.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.449 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.91 85.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.833 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.18 -48.88 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 61.6 tp -60.97 -40.32 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 177.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -57.55 -44.25 85.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.302 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -59.06 -50.75 72.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.998 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -37.81 88.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.101 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -57.08 -52.36 65.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.44 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.6 -50.25 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.131 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.96 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.324 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 m -69.37 -38.7 78.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.851 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.43 94.22 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.302 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.1 mm? -72.5 -39.4 67.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -52.75 -55.43 22.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.3 ptp -67.74 -29.89 69.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.15 -52.55 33.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.032 0.444 . . . . 0.0 109.862 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HG12 ' A' ' 43' ' ' VAL . 58.6 tp -64.49 -35.65 81.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.161 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.496 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 35.8 t-80 -54.43 -57.69 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.26 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -71.19 -26.35 62.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.512 -175.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.4 tp -66.2 -45.38 81.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.896 0.379 . . . . 0.0 110.06 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.552 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . . . -75.49 -26.88 58.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.362 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 4.0 mm-40 -57.76 -45.65 85.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.833 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.47 76.61 1.04 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.496 0.665 . . . . 0.0 109.274 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.764 HD13 ' HG3' ' B' ' 23' ' ' LYS . 5.3 mt -64.55 178.75 0.43 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.115 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 4.6 Cg_exo 7.21 122.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.875 1 C-N-CA 125.628 4.219 . . . . 0.0 115.96 -129.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 34' ' ' PRO . 1.1 p 153.72 128.62 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 110.383 -3.099 . . . . 0.0 104.823 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.94 16.26 2.86 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.606 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HA ' HG13 ' A' ' 40' ' ' ILE . 18.6 p90 -61.34 -18.56 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.306 0.553 . . . . 0.0 111.869 -177.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.48 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 27.7 t-20 -68.57 -23.86 64.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.639 0.733 . . . . 0.0 109.761 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -95.84 3.89 53.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.668 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.597 HG13 ' HA ' ' A' ' 37' ' ' TRP . 24.0 mt -55.66 -43.18 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.41 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.4 mmt -56.89 -46.29 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.978 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -58.88 6.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.993 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 26' ' ' LEU . 22.1 t -58.1 -45.5 88.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.279 -177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.6 98.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.085 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.96 -47.9 78.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.022 0.439 . . . . 0.0 110.19 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -60.99 -41.88 97.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.127 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 62.0 m -61.3 -49.73 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 87.0 t80 -65.98 -42.82 89.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.851 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.04 -54.67 44.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.734 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.93 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.284 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.96 -41.18 87.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.631 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.04 -49.91 68.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.139 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -54.72 -39.18 67.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.878 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.48 -50.01 74.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.926 0.393 . . . . 0.0 109.948 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 29.1 t70 -65.71 -32.95 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -71.17 -36.97 72.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.891 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 61.2 t80 -67.24 -35.38 79.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HA ' HG22 ' A' ' 61' ' ' THR . 12.6 ttm180 -60.78 -42.21 97.05 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.684 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.5 mmtm -54.13 -48.89 70.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.392 0.615 . . . . 0.0 109.516 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.4 m -62.32 -53.38 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.913 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 58' ' ' ARG . 14.2 t -69.16 -30.37 68.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.449 -175.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.78 -45.25 94.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.249 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -64.44 -37.7 88.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.046 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.33 -46.97 68.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.216 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' CB ' ' HB2' ' A' ' 67' ' ' HIS . 45.0 mt-10 -70.96 -15.64 62.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.369 -177.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 67.28 26.42 8.57 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -168.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 65' ' ' GLU . 3.2 t-160 -89.82 110.18 21.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.774 -174.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -116.39 171.48 7.81 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.536 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.2 t60 70.86 103.14 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.225 0.953 . . . . 0.0 111.761 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -96.05 157.25 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.571 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.306 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.409 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 21.2 ttt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.6 p -70.66 -8.8 54.56 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.673 0.749 . . . . 0.0 111.089 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 1' ' ' MET . 1.9 mm-40 -155.03 142.72 19.83 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 113.844 -1.525 . . . . 0.0 108.954 172.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.16 144.37 18.25 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.299 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.21 73.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.32 -46.46 60.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.56 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.52 -49.08 71.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.509 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.664 HD11 HG23 ' B' ' 61' ' ' THR . 3.6 tt -57.08 -51.2 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.905 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.17 -45.93 82.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.47 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.9 85.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.74 -45.21 68.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.72 -42.1 98.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.321 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.16 -52.14 66.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.63 -45.93 92.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.135 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' LEU . 88.7 mt -67.31 -45.01 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.715 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -61.29 -44.77 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.11 89.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.52 -44.6 86.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.471 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -27.45 68.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.936 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.522 ' HA ' ' HZ3' ' B' ' 23' ' ' LYS . 55.1 m -75.09 -46.09 36.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.711 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 24' ' ' MET . . . -60.33 -53.67 54.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.612 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -65.22 -31.38 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.354 -178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.764 ' HG3' HD13 ' A' ' 33' ' ' LEU . 7.6 ttpm? -63.76 -44.22 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.279 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 21' ' ' ALA . 23.9 ptp -72.04 -34.53 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.835 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -50.31 65.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.889 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.37 -40.71 95.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 3.7 t-160 -59.49 -51.07 71.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.481 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.02 -32.73 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.16 -40.09 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.6 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.859 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.35 -27.86 63.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.272 0.558 . . . . 0.0 110.895 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.58 -22.16 59.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.035 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.41 25.99 9.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.195 0.521 . . . . 0.0 110.373 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.024 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.3 mt -45.86 174.76 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.409 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 1.024 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 24.05 21.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.424 1 C-N-CA 125.789 4.326 . . . . 0.0 117.787 -146.413 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -126.67 136.0 51.9 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 159.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.24 21.12 63.79 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.51 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.515 ' HA ' HG13 ' B' ' 40' ' ' ILE . 41.5 p90 -58.32 -22.83 54.53 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 67.2 t30 -65.49 -21.63 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.902 -0.499 . . . . 0.0 110.548 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -92.48 -2.85 55.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.515 HG13 ' HA ' ' B' ' 37' ' ' TRP . 69.5 mt -53.5 -51.9 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 86.4 mtp -72.1 -44.69 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.429 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.616 ' O ' ' HD3' ' B' ' 46' ' ' LYS . 30.1 tt0 -61.36 -46.96 88.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.809 0.337 . . . . 0.0 110.772 -176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.2 -42.19 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.285 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.47 93.58 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.992 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' B' ' 41' ' ' MET . 79.5 mt-10 -53.2 -57.44 10.5 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.098 0.475 . . . . 0.0 110.783 176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.616 ' HD3' ' O ' ' B' ' 42' ' ' GLU . 11.9 mptt -66.07 -35.86 81.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.041 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' B' ' 22' ' ' LEU . 39.2 m -64.91 -50.73 65.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.48 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 62.2 t80 -66.58 -41.07 89.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 9.9 tp10 -53.67 -52.34 60.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.05 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.74 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.93 -29.51 69.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.619 0.247 . . . . 0.0 111.662 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.96 -47.1 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 0.0 109.985 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 49' ' ' GLU . 87.6 mm-40 -59.92 -38.46 82.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.731 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 2.1 mm? -59.83 -48.59 81.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.79 175.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.96 -50.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.72 -41.61 97.86 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 120.932 0.396 . . . . 0.0 110.69 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.75 -46.15 91.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.832 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -63.31 -34.73 78.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.342 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -69.91 -41.35 74.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -67.59 -43.4 80.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.182 0.515 . . . . 0.0 109.942 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.664 HG23 HD11 ' B' ' 8' ' ' LEU . 98.4 m -63.82 -35.66 81.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.91 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.42 81.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.027 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 24.5 t -67.87 -41.11 83.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.138 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.85 -36.68 78.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.894 ' HB3' ' HB3' ' B' ' 68' ' ' HIS . 29.2 mt-10 -67.36 -13.03 61.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.549 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 61.67 36.01 16.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -174.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 39.0 m80 67.9 41.34 2.14 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.415 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.894 ' HB3' ' HB3' ' B' ' 65' ' ' GLU . 21.7 t-80 -69.05 -68.61 0.39 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.361 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 58.46 96.03 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -146.04 -90.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.244 0.803 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.026 0.441 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -98.74 152.58 19.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 170.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -147.47 159.25 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.337 0.589 . . . . 0.0 110.791 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.41 133.93 14.7 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 115.426 -0.807 . . . . 0.0 112.099 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.46 67.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.117 0.484 . . . . 0.0 111.355 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.17 -53.44 55.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -67.62 -34.62 77.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.901 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -54.27 -51.74 63.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.059 175.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -69.45 -34.77 74.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.085 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.37 85.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 82.7 tttt -67.93 -42.01 81.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.889 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.55 -42.06 99.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.203 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -52.87 -48.17 67.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.08 0.466 . . . . 0.0 110.527 175.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.15 -54.9 41.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.214 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 54' ' ' LEU . 98.4 mt -64.53 -42.12 95.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.836 -175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -60.98 -46.0 92.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.472 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.32 92.89 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.68 -47.34 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.31 87.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.2 m -67.37 -40.35 85.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.55 -47.84 83.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.053 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -70.02 -31.9 69.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 39.6 ttmt -55.73 -48.81 74.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -68.22 -37.6 81.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.756 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.63 -50.75 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.394 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.77 -40.89 83.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' B' ' 31' ' ' GLU . 21.1 t60 -60.47 -42.83 97.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.491 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.88 -42.56 85.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.44 -36.08 76.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.091 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.26 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.158 0.504 . . . . 0.0 110.676 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.59 -40.57 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.388 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.38 65.36 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.015 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.897 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -65.97 172.9 2.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.677 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.897 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 13.53 -166.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 125.898 4.399 . . . . 0.0 116.595 -141.132 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.0 m 72.39 -56.3 0.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.158 -166.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.32 25.37 12.51 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.211 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' HA ' HG13 ' A' ' 40' ' ' ILE . 21.8 p90 -56.64 -25.51 53.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.129 0.49 . . . . 0.0 111.046 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -61.26 -25.61 67.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.615 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG2' HG23 ' A' ' 43' ' ' VAL . 49.3 ttt180 -106.13 4.33 28.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.971 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.546 HG13 ' HA ' ' A' ' 37' ' ' TRP . 69.3 mt -53.52 -51.27 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.632 0.253 . . . . 0.0 111.68 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 52.8 ttm -68.56 -43.56 76.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.955 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.96 -47.92 79.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 39' ' ' ARG . 89.4 t -62.26 -48.74 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.51 176.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.91 74.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.661 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 41' ' ' MET . 74.3 mt-10 -50.71 -60.75 2.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 122.877 0.471 . . . . 0.0 111.35 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.34 -28.16 62.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.02 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 m -62.42 -54.26 42.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 84.2 t80 -65.29 -44.65 87.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.904 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.43 -32.72 70.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.74 -52.74 40.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.578 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -59.83 -39.5 85.31 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 120.868 0.366 . . . . 0.0 110.603 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.05 -56.03 27.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.828 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.99 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.557 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.0 tt -63.2 -48.24 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.824 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' ARG . 37.8 t70 -71.81 -31.25 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.651 0.263 . . . . 0.0 111.077 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.28 -41.9 93.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.37 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 49.7 t80 -69.58 -38.32 77.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.527 175.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' A' ' 55' ' ' ASP . 45.0 ttt180 -57.23 -46.23 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.18 175.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -59.03 -48.96 79.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.63 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' HD23 ' A' ' 64' ' ' LEU . 28.2 t -60.91 -45.12 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 12.7 t -73.45 -29.27 62.44 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.803 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.57 98.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 111.11 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 p -70.61 -20.85 62.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.305 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 60' ' ' SER . 4.1 mm? -89.56 -31.05 17.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 61' ' ' THR . 48.0 mt-10 -70.77 -15.76 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 60.96 43.48 11.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -166.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -62.29 -22.48 66.06 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.221 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 t60 65.49 87.67 0.11 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.1 m170 66.43 136.0 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.589 -171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -85.69 101.09 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.733 0.778 . . . . 0.0 111.118 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.253 1.273 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.518 173.047 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.77 0.319 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -146.75 137.53 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.98 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.83 109.5 19.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.668 0.747 . . . . 0.0 109.613 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.56 152.84 20.59 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.6 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.35 -17.99 63.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.49 -56.19 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.763 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.45 -32.98 70.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.675 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.21 -36.63 82.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.33 -47.94 77.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.291 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.29 93.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.729 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -52.95 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.358 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.333 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.5 -47.05 80.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -60.83 -51.16 70.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.732 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' B' ' 54' ' ' LEU . 79.4 mt -65.68 -45.24 83.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.707 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -63.16 -41.62 99.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.0 111.09 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.75 -40.56 72.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.724 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.05 -44.27 85.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.6 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.041 0.448 . . . . 0.0 110.881 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -67.2 -38.4 85.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -43.64 79.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.989 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' B' ' 46' ' ' LYS . 3.6 mm? -63.14 -26.5 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.486 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -55.69 -54.9 38.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.857 0.36 . . . . 0.0 110.656 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.12 -24.41 58.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.34 -36.66 68.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.036 0.446 . . . . 0.0 110.326 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.428 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.6 tp -81.19 -45.5 16.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.16 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -50.97 -54.82 21.04 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.88 -25.53 59.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.946 -173.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.88 -40.74 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.035 0.445 . . . . 0.0 110.201 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -74.81 -25.13 58.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.539 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 39.5 tt0 -78.05 -43.71 28.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.691 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -95.12 27.23 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.752 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.797 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.0 mt -40.8 169.5 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.797 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 5.3 Cg_exo 2.63 122.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.624 0 C-N-CA 125.08 3.854 . . . . 0.0 115.609 -131.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.616 HG23 ' O ' ' B' ' 34' ' ' PRO . 1.4 p 175.15 -52.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 111.411 -2.631 . . . . 0.0 106.55 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.61 43.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.372 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.524 ' H ' ' HE3' ' B' ' 37' ' ' TRP . 5.7 p90 -55.26 -27.57 47.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.052 0.541 . . . . 0.0 111.725 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.402 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.3 t-20 -65.45 -26.03 67.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.511 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -88.82 -3.49 58.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.332 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.45 -44.24 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.08 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 95.5 mmm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.891 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.83 -53.29 59.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.351 0.596 . . . . 0.0 110.132 178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.488 ' HA ' ' HE2' ' B' ' 46' ' ' LYS . 40.9 t -64.54 -42.83 96.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.887 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.86 79.34 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.962 0.41 . . . . 0.0 110.357 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 49' ' ' GLU . 34.2 mt-10 -60.78 -57.8 11.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.716 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' B' ' 22' ' ' LEU . 50.4 mtmt -58.88 -50.51 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.619 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 26.3 m -66.13 -46.52 77.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.538 -174.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.01 -44.97 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.543 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 45' ' ' GLU . 2.4 tm-20 -59.11 -48.42 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.852 -178.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.07 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.485 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.6 m-85 -66.4 -40.67 89.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -61.49 -48.73 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.6 -37.45 84.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' B' ' 15' ' ' LEU . 66.4 tp -59.13 -49.73 76.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.591 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 27.2 t70 -67.93 -41.94 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.9 -45.1 94.1 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.652 0.263 . . . . 0.0 111.547 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -61.43 -37.24 82.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' B' ' 61' ' ' THR . 0.0 OUTLIER -64.69 -35.76 82.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.727 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.5 mmtt -63.53 -49.79 72.1 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.219 0.533 . . . . 0.0 109.629 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -62.23 -38.71 90.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.749 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.526 HG22 ' HA ' ' B' ' 58' ' ' ARG . 14.8 t -83.99 -23.37 31.04 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.343 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.1 96.22 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.695 0.283 . . . . 0.0 111.088 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -64.75 -42.26 95.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.386 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.2 mm? -72.43 -38.19 68.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.986 0.422 . . . . 0.0 111.175 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.45 -15.74 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.743 0.782 . . . . 0.0 110.167 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 53.2 m80 58.24 50.95 9.02 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.757 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.431 ' HD2' ' HA ' ' B' ' 70' ' ' HIS . 4.0 t60 -79.4 52.88 1.43 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.022 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -60.54 -37.58 81.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.733 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -82.48 91.71 6.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' B' ' 67' ' ' HIS . 34.3 t-80 -76.6 127.85 33.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.545 -165.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 117.082 -1.437 . . . . 0.0 107.731 173.473 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -138.66 143.87 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.24 131.73 51.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.322 0.582 . . . . 0.0 110.519 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -120.88 125.84 6.37 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 175.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -57.33 -27.29 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 111.094 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.51 -45.33 83.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.405 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.99 -36.76 75.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.051 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 3.7 mm? -57.66 -48.75 78.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.391 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -66.15 -40.19 90.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.32 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.98 0.419 . . . . 0.0 110.873 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -66.71 -46.57 75.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.889 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 61' ' ' THR . 54.1 tp -59.01 -44.48 91.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.856 176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -55.85 -51.65 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.696 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.43 -49.64 75.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.808 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.03 -42.06 97.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.678 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 26.2 t-20 -60.6 -50.9 71.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.014 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.54 91.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.21 -47.74 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.025 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.21 82.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.7 m -60.34 -45.6 92.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.184 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.35 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.152 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.38 -36.29 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.326 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' B' ' 33' ' ' LEU . 34.3 ttpt -66.42 -44.81 81.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.78 -37.16 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.28 -48.7 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -63.26 -35.78 81.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.75 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.92 -38.98 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.89 -34.44 75.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.792 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -70.39 -25.55 63.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.501 . . . . 0.0 110.533 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.614 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -92.99 76.06 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.635 0.731 . . . . 0.0 109.762 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.875 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 12.1 mt -87.66 171.03 10.38 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.084 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.875 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 8.9 Cg_exo -3.65 121.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.782 0 C-N-CA 125.006 3.804 . . . . 0.0 115.399 -136.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 175.32 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 111.065 -2.789 . . . . 0.0 106.194 -178.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.85 32.83 5.17 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 113.825 -1.534 . . . . 0.0 110.967 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.52 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.2 p-90 -56.51 -21.79 28.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.21 -32.01 71.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.085 0.469 . . . . 0.0 109.97 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 43' ' ' VAL . 39.7 ttt-85 -78.69 -7.89 58.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.627 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG13 ' HA ' ' A' ' 37' ' ' TRP . 35.5 mt -52.91 -41.94 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.044 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' B' ' 45' ' ' GLU . 97.1 mmm -65.86 -51.53 58.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.314 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 1.5 mp0 -55.54 -44.8 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.604 -177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 39' ' ' ARG . 51.7 t -66.27 -53.28 38.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.349 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.76 -39.31 71.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.33 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' MET . 47.7 mt-10 -58.59 -57.29 13.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.203 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -73.97 -29.3 61.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.234 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.9 m -66.15 -51.45 57.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.416 0.151 . . . . 0.0 111.002 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -64.6 -48.85 73.39 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.565 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 57.9 mm-40 -59.62 -32.19 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -47.83 60.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.646 0.26 . . . . 0.0 110.513 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.25 -33.65 73.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 14.6 ptm180 -66.64 -41.59 88.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.279 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -37.49 70.91 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 16' ' ' ASN . 6.3 tt -57.52 -51.65 68.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.991 176.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 24.9 t70 -66.84 -35.35 79.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.658 -177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.77 -48.41 77.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.749 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.493 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 2.4 t80 -65.4 -36.25 83.4 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 58.5 ttt180 -56.41 -51.46 68.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.234 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -69.34 -32.04 70.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -178.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 m -68.59 -48.44 64.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.766 HG21 HD22 ' A' ' 12' ' ' LEU . 9.7 t -74.01 -29.08 61.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.045 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 67' ' ' HIS . . . -65.44 -25.13 67.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.794 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.4 m -74.11 -33.2 63.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.271 0.558 . . . . 0.0 110.199 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -79.28 -40.69 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.621 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -73.42 -13.04 61.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.379 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t60 65.0 77.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.172 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.464 ' HB3' ' HB1' ' A' ' 62' ' ' ALA . 7.9 p-80 -49.57 144.97 5.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.762 -171.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.98 145.42 27.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.698 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -143.12 56.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.872 0.368 . . . . 0.0 110.94 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.2 m80 72.8 148.15 0.09 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.908 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.572 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -64.85 130.24 42.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.595 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -134.72 126.27 28.69 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.501 ' O ' HD23 ' B' ' 8' ' ' LEU . . . 168.05 -168.72 40.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.048 -177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.44 -29.7 61.97 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.5 -50.68 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.43 -39.42 94.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.949 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 4' ' ' GLY . 4.4 mm? -63.19 -51.5 66.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.54 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.31 -41.55 98.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.685 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.818 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.32 -44.94 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.2 tp -54.75 -46.23 74.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.891 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -55.03 -49.67 70.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.773 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -63.64 -48.3 77.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.193 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.502 ' HG ' HE22 ' B' ' 53' ' ' GLN . 4.0 mm? -68.25 -38.08 81.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.575 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.95 -46.42 90.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.04 90.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.919 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -61.58 -51.81 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.872 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.63 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.998 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 91.8 m -62.43 -45.91 90.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.285 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -48.98 64.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.328 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.4 mm? -62.69 -36.85 84.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.772 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.578 ' HG2' HD13 ' A' ' 33' ' ' LEU . 39.1 ttpt -56.0 -55.06 37.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.917 0.389 . . . . 0.0 111.229 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 44.1 mtt -75.51 -28.44 59.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.97 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.87 -39.91 94.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.3 -39.01 93.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.497 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 19.1 t-80 -57.17 -51.93 67.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.676 176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -26.17 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.3 -38.48 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.111 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.837 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -67.4 -26.64 66.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.169 0.509 . . . . 0.0 110.614 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -74.41 -22.1 59.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.71 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -113.7 24.65 11.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.686 0.755 . . . . 0.0 110.192 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.6 mt -53.95 169.0 0.38 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.568 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 12.45 19.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 1 C-N-CA 127.403 5.402 . . . . 0.0 119.208 -150.367 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 33' ' ' LEU . 20.2 m -100.2 -53.6 3.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 165.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.82 37.35 3.87 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.478 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.686 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 8.4 p-90 -68.3 -7.81 34.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.945 0.403 . . . . 0.0 111.718 -176.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -77.3 -8.34 57.47 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.754 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.403 ' HB3' HG23 ' B' ' 43' ' ' VAL . 95.7 mtt180 -101.74 -7.72 22.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.608 HG13 ' HA ' ' B' ' 37' ' ' TRP . 64.0 mt -52.11 -54.01 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 81.7 mtp -77.95 -31.74 51.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -57.82 7.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.823 0.344 . . . . 0.0 110.721 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' B' ' 39' ' ' ARG . 78.2 t -60.37 -48.03 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.616 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.96 91.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.386 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.5 tt0 -58.08 -55.03 40.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.393 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.573 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -63.64 -35.87 81.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.001 -178.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 71.4 m -60.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.934 0.397 . . . . 0.0 110.467 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.01 -44.09 85.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 56.4 mt-10 -54.24 -46.08 72.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.001 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.308 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -67.04 -37.47 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 111.406 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -64.04 -52.02 61.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.502 HE22 ' HG ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -66.19 -32.65 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.11 178.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 51.5 tp -60.99 -43.94 98.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.491 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -68.62 -38.22 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -61.62 -42.03 98.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.144 0.497 . . . . 0.0 110.296 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.53 -47.08 86.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.595 174.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' B' ' 61' ' ' THR . 21.8 mtp180 -68.71 -25.76 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.372 0.606 . . . . 0.0 110.79 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.24 -42.1 60.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.03 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -70.78 -36.68 73.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.905 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.603 HG22 ' HA ' ' B' ' 58' ' ' ARG . 6.6 t -74.58 -22.2 59.1 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.145 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.42 -37.35 74.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.136 0.493 . . . . 0.0 110.73 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -70.44 -15.38 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.742 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.05 -41.04 6.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.756 0.313 . . . . 0.0 111.456 178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.19 -15.15 61.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.448 0.642 . . . . 0.0 110.953 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 66.9 t60 -138.52 -74.76 0.39 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.963 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' B' ' 66' ' ' HIS . 1.5 t-80 172.32 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -157.54 126.17 5.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 69.55 125.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.823 0.702 . . . . 0.0 109.217 -172.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -51.4 -54.41 26.86 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.789 0.328 . . . . 0.0 110.99 -173.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.356 171.346 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.946 0.403 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.562 ' HB3' ' HG2' ' A' ' 7' ' ' GLU . 25.4 m -92.1 156.5 17.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.41 -178.33 6.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.805 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.05 150.72 27.0 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.448 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.12 -24.75 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.064 0.459 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -62.25 -52.96 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.841 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.562 ' HG2' ' HB3' ' A' ' 2' ' ' SER . 8.8 tp10 -59.2 -42.27 90.5 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.211 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -59.46 -51.24 70.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.83 -178.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -71.81 -32.77 67.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.93 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.01 76.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.945 0.403 . . . . 0.0 110.806 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 15' ' ' LEU . 33.3 tttp -74.94 -39.49 61.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.14 -40.18 84.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.327 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -52.37 -48.9 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 110.507 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.32 -52.84 43.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.378 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 ' HB3' HD13 ' A' ' 54' ' ' LEU . 4.3 mm? -61.5 -40.35 94.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.768 -176.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -62.17 -52.72 62.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.437 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.72 96.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.935 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.02 -51.09 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.742 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -61.2 -45.34 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -61.75 -43.09 99.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.523 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -54.94 41.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.067 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.1 mm? -64.98 -37.58 88.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.647 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 51' ' ' TYR . 33.3 ttmt -55.26 -51.56 66.27 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.317 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.4 ptp -75.43 -38.18 59.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.59 -45.1 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.971 -174.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.18 -35.3 78.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' HD2' ' HB1' ' B' ' 30' ' ' ALA . 15.6 t-160 -56.29 -50.78 70.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.497 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.21 -32.34 61.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.79 -40.23 96.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 -26.73 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -84.95 -22.93 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.913 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -90.71 56.97 3.43 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.978 0.894 . . . . 0.0 109.663 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.958 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -63.96 168.76 5.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.906 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.958 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 9.98 20.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.392 1 C-N-CA 127.778 5.652 . . . . 0.0 119.685 -154.269 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 33' ' ' LEU . 28.5 m -105.66 -69.07 0.84 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 168.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.04 0.78 89.58 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.685 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.696 ' HA ' HG13 ' A' ' 40' ' ' ILE . 6.4 t90 -53.03 -32.92 49.37 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.493 0.717 . . . . 0.0 111.454 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.11 -26.64 39.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.424 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -115.23 2.93 14.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.75 -173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.0 mt -57.24 -48.65 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.0 ttm -59.95 -40.67 89.79 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.9 tt0 -65.07 -49.62 69.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.313 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.0 -47.78 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.123 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.26 87.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -56.21 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.554 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.9 mtmt -67.24 -34.1 76.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.651 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 45.4 m -62.51 -47.75 82.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 110.152 176.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.6 -47.57 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.198 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.71 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 5.2 mm-40 -62.01 -44.62 96.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.19 98.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.922 0.392 . . . . 0.0 110.612 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' HE1' ' HE2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -73.07 -38.45 66.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -178.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.71 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 2.9 ptm180 -66.92 -37.96 85.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.43 -40.4 77.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.358 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 15' ' ' LEU . 65.8 tp -62.99 -45.1 94.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.04 -45.38 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -59.87 -43.04 94.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.146 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.81 -42.05 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.45 . . . . 0.0 110.314 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -66.17 -41.67 89.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -60.66 -46.8 88.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.296 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -60.31 -50.96 71.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.271 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 t -66.68 -32.67 74.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.045 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.4 82.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.166 0.508 . . . . 0.0 110.189 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.213 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.21 -34.89 77.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.053 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.54 -15.62 63.6 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 111.452 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -93.89 -52.76 4.28 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.381 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 71.73 -43.63 0.57 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.041 0.838 . . . . 0.0 112.503 171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -70.4 89.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 111.409 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -91.86 -25.02 19.15 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.4 t60 66.65 -72.93 0.08 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.755 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.818 -178.629 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' B' ' 7' ' ' GLU . 17.4 m -144.88 132.6 21.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 173.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -91.59 105.1 17.5 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.483 0.658 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.25 144.7 4.42 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.44 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -60.3 -28.47 68.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.65 -55.55 14.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.419 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' B' ' 11' ' ' LYS . 0.2 OUTLIER -60.78 -40.91 94.34 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.431 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 2.0 tt -61.12 -46.77 89.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.011 -177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 1.4 tptm -76.29 -42.47 45.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.289 -175.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.56 81.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.842 0.353 . . . . 0.0 110.341 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' B' ' 7' ' ' GLU . 12.8 tttp -73.53 -43.77 59.16 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.448 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 tp -56.65 -47.11 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 13' ' ' LYS . 2.1 tppp? -59.38 -49.07 79.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.483 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -59.85 -51.83 68.03 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.465 HD23 ' HG2' ' B' ' 11' ' ' LYS . 4.1 mm? -64.17 -42.96 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.052 0.453 . . . . 0.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.6 90.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.764 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.47 -46.54 85.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.62 96.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.8 m -64.7 -33.5 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.63 80.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.261 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.1 mm? -66.3 -33.15 75.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -54.56 -50.71 67.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.684 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.06 -32.34 61.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.341 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.29 -45.95 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.645 0.26 . . . . 0.0 110.716 176.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 47' ' ' THR . 49.1 tp -69.65 -43.84 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.175 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.483 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 12.7 t-80 -65.47 -39.47 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.119 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.17 -45.05 92.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.201 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 40' ' ' ILE . 20.9 tp -64.12 -36.26 83.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.877 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 27' ' ' HIS . . . -66.36 -38.52 87.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.756 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 19.5 mm-40 -73.5 -24.98 60.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.223 0.535 . . . . 0.0 110.242 176.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -99.22 26.75 5.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.144 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.929 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.4 mt -42.18 167.84 0.06 OUTLIER Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.96 172.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.4 OUTLIER 8.89 134.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.279 1 C-N-CA 126.624 4.883 . . . . 0.0 116.921 -147.368 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.707 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 63.1 m 96.92 -45.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 113.37 -1.741 . . . . 0.0 109.837 -165.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 29' ' ' LEU . . . -88.44 -5.36 75.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.348 175.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.707 ' HD1' ' H ' ' B' ' 35' ' ' THR . 41.6 p-90 -65.13 -25.09 67.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.607 -174.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.3 -18.89 62.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.477 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -98.36 -5.79 32.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.663 -174.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.58 HG13 ' HA ' ' B' ' 37' ' ' TRP . 47.4 mt -58.76 -51.74 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -172.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 46.4 ttm -61.24 -44.59 97.02 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.52 -48.79 66.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 111.067 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.69 -47.15 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.338 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.47 89.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.4 -55.84 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.75 -36.96 84.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.379 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.455 HG21 HD22 ' B' ' 26' ' ' LEU . 36.3 m -64.28 -48.05 77.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.774 0.321 . . . . 0.0 110.331 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.5 -46.8 88.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.084 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.85 -48.85 78.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.962 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.91 92.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.322 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.77 -32.12 67.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.475 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 17.6 ttm-85 -67.21 -46.36 74.08 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 174.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -63.05 -33.77 76.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.048 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.04 -45.56 80.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.36 -42.96 98.91 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 39.2 mm-40 -62.93 -43.95 97.4 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.311 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.431 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 57.2 t80 -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -63.04 -47.77 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.991 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -54.66 -46.18 73.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.324 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 28.7 m -65.7 -50.45 64.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.376 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -71.04 -36.5 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.252 -174.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.07 67.17 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 122.193 -0.317 . . . . 0.0 111.09 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -82.62 -7.39 59.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 64' ' ' LEU . 4.0 mm? -115.53 -22.8 9.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.039 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' B' ' 66' ' ' HIS . 9.0 tt0 -87.65 5.26 40.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.566 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . 0.435 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 39.6 t-80 74.97 22.71 1.79 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.613 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.423 ' O ' ' HB3' ' B' ' 68' ' ' HIS . 14.9 m-70 66.93 160.93 0.16 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.708 -175.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' B' ' 67' ' ' HIS . 59.8 t60 65.53 100.87 0.04 OUTLIER 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.809 -173.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -72.2 125.38 27.16 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -49.16 -54.85 14.49 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.772 0.67 . . . . 0.0 110.849 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.282 -0.866 . . . . 0.0 108.816 173.35 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -77.22 -5.84 50.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.32 0.581 . . . . 0.0 111.675 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -145.78 132.62 20.09 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.069 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 -168.28 12.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.053 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 8' ' ' LEU . . . -69.12 -20.47 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.137 0.494 . . . . 0.0 111.513 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.24 -35.52 76.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.919 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 25.0 tp -61.08 -40.8 95.09 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -69.42 -38.25 77.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.645 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.73 73.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 15' ' ' LEU . 5.0 tmtm? -65.29 -47.37 76.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.534 175.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 60.0 tp -61.93 -40.98 97.37 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -52.46 -49.52 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -60.57 -50.82 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD11 ' HE3' ' A' ' 11' ' ' LYS . 81.9 mt -64.19 -45.99 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.404 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.65 -50.7 67.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.039 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.1 85.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -66.14 -49.13 68.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.67 96.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.313 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.9 m -68.64 -37.14 79.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.111 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -53.27 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -29.83 70.86 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' HE1' ' A' ' 51' ' ' TYR . 89.0 tttt -56.58 -43.92 80.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.409 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 25.5 mmt -76.32 -37.76 56.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.99 -43.98 98.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.461 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.15 -45.1 94.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.188 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -64.38 -38.45 91.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.506 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.18 -42.21 96.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.279 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 40' ' ' ILE . 41.1 tp -63.52 -35.93 82.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.45 85.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.31 -22.16 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -90.01 13.78 13.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.472 0.653 . . . . 0.0 110.701 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.769 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.7 mt -56.71 173.58 0.3 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.841 169.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.769 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER 10.53 127.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.759 0 C-N-CA 124.897 3.731 . . . . 0.0 114.953 -131.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 56.3 m 96.52 -14.62 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 112.688 -2.051 . . . . 0.0 109.72 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.01 27.07 7.6 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.939 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 34' ' ' PRO . 98.1 m95 -71.25 -37.9 71.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 111.69 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.82 -12.98 61.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.986 0.422 . . . . 0.0 111.622 -169.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -95.69 -9.48 31.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.979 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.516 ' HA ' HD21 ' A' ' 29' ' ' LEU . 48.0 mt -53.76 -51.58 42.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.272 -174.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE2' ' HA ' ' A' ' 41' ' ' MET . 1.0 OUTLIER -58.85 -43.46 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -64.99 -58.57 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.186 0.517 . . . . 0.0 110.771 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.71 -39.28 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.209 -176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.2 94.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.438 0.161 . . . . 0.0 110.797 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.6 -56.61 12.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.87 -47.2 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.196 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.405 HG22 ' CZ2' ' B' ' 37' ' ' TRP . 18.0 m -67.27 -44.78 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.874 -177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 75.4 t80 -60.85 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.935 0.398 . . . . 0.0 110.387 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' A' ' 52' ' ' ARG . 2.9 mm-40 -66.22 -42.4 88.77 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.994 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.34 93.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' HE1' ' HD2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.46 -32.82 74.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.037 0.446 . . . . 0.0 109.832 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HD3' ' OE1' ' A' ' 49' ' ' GLU . 28.5 ttt180 -70.34 -42.78 71.45 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.878 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 27.3 mm-40 -59.83 -32.04 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.767 0.318 . . . . 0.0 110.57 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.83 -37.13 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.118 0.485 . . . . 0.0 110.048 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.45 -37.76 71.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.492 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -55.29 -40.14 70.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 109.777 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 12' ' ' LEU . 66.8 t80 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.081 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -60.68 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -59.08 -51.63 69.19 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.647 176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 19.4 m -62.77 -49.56 74.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.525 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.6 m -64.81 -45.7 85.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.1 94.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.203 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -76.44 -28.65 56.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.693 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.96 -41.32 36.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.146 -179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.61 -11.81 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.95 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 71.35 19.32 5.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.405 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -114.08 93.63 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.509 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -63.36 125.79 25.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.23 70.88 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.984 0.802 . . . . 0.0 110.474 -175.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -116.25 137.24 52.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.853 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.012 173.515 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -128.93 152.17 48.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.002 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 73.5 115.75 0.06 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.836 0.826 . . . . 0.0 111.366 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 160.56 21.65 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.983 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.23 -18.28 63.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.537 0.208 . . . . 0.0 111.268 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -60.61 -49.87 75.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.916 0.388 . . . . 0.0 110.994 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.35 -35.79 80.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.95 -48.43 71.34 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.14 -40.01 93.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.36 90.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.87 -47.83 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.546 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 -42.37 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -56.94 -50.27 73.12 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.29 -48.66 80.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.416 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.92 -50.99 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.014 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.12 99.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.353 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -61.57 -47.97 83.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.903 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.22 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.879 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 39.6 m -60.35 -42.17 95.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.968 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.19 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -33.28 74.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.436 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' B' ' 23' ' ' LYS . 35.5 ttpt -53.0 -51.27 62.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 0.0 110.551 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.5 mtp -76.1 -35.51 59.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.626 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -62.02 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.057 -177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 33' ' ' LEU . 7.4 tt -63.7 -49.75 71.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -66.18 -36.27 82.64 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.85 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.64 -42.45 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.389 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.08 -44.89 83.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.866 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.5 68.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.367 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.3 -25.46 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.251 0.548 . . . . 0.0 110.014 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -98.88 25.22 6.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.357 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.012 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.0 mt -43.83 174.13 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 1.012 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.04 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.395 1 C-N-CA 126.106 4.538 . . . . 0.0 118.014 -145.323 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -129.32 134.43 47.91 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 159.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.94 28.77 72.51 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.258 -176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.417 ' CE3' HD22 ' B' ' 33' ' ' LEU . 21.8 t-105 -58.09 -36.73 73.29 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 111.039 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.406 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 54.6 t30 -64.8 -22.39 66.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.533 . . . . 0.0 110.985 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' HG23 ' B' ' 43' ' ' VAL . 18.4 tpt180 -78.15 -16.39 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.495 HD11 HD21 ' B' ' 33' ' ' LEU . 56.6 mt -53.67 -51.79 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.388 -175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 55.9 tpp -58.22 -52.77 64.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.399 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.562 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 29.4 tt0 -56.97 -54.21 49.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.483 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG3' ' B' ' 39' ' ' ARG . 68.0 t -62.51 -46.89 95.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.989 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.2 -53.26 47.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.873 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.4 mtmt -67.34 -33.08 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.218 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.1 m -66.73 -44.05 82.57 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.297 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.37 -51.73 67.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.045 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.37 -37.54 78.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.894 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -48.71 72.14 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -65.96 -35.43 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.563 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -60.36 -52.67 64.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.368 173.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -62.81 -30.94 71.86 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.331 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.45 -47.35 84.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.921 0.391 . . . . 0.0 110.232 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.37 -42.93 78.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.35 -28.5 68.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 111.32 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.4 -41.35 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' B' ' 61' ' ' THR . 16.7 mtp180 -64.08 -38.77 92.26 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.762 176.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -55.66 -51.76 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.229 0.538 . . . . 0.0 110.121 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 25.6 t -59.22 -55.35 36.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.232 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' B' ' 65' ' ' GLU . 11.3 t -66.36 -20.33 66.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.704 -174.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.17 -46.2 21.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.01 0.433 . . . . 0.0 110.52 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -67.21 -42.14 84.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.7 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.47 -15.45 58.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.061 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 61' ' ' THR . 36.6 tt0 -78.2 -10.41 59.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.217 0.532 . . . . 0.0 109.659 175.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 72.0 t60 72.4 2.45 4.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.509 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -84.24 54.77 3.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.764 -173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -78.8 51.23 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.803 0.811 . . . . 0.0 110.329 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -143.4 136.54 27.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.871 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -102.91 2.03 34.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 19.9 t60 . . . . . 0 C--O 1.252 1.187 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.48 -179.231 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t 65.49 162.09 0.14 Allowed 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.673 0.608 . . . . 0.0 110.159 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -160.6 118.63 2.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.224 0.535 . . . . 0.0 110.201 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.01 156.34 17.38 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.666 -173.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.24 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.336 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.43 -39.04 89.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.569 0.699 . . . . 0.0 109.786 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 24.9 tp -60.58 -51.3 70.01 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -70.04 -36.91 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.081 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.58 90.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -70.95 -40.79 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.879 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.62 -43.11 89.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.114 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -53.19 -53.56 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -55.51 -53.14 60.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.749 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.0 mm? -62.71 -37.94 88.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.01 -47.38 80.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.783 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.62 80.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.89 178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.23 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.378 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.24 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 m -63.86 -38.93 92.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.934 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.2 82.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.038 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 22' ' ' LEU . 3.7 mm? -81.99 -28.98 32.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.318 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -43.66 97.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -75.2 -26.27 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.755 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.94 -49.34 58.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 109.864 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 HD11 ' B' ' 33' ' ' LEU . 66.1 tp -64.01 -42.76 97.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.436 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -59.42 -39.33 83.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.69 -44.09 67.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 tp -71.59 -32.24 67.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.52 -28.06 66.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 -44.26 12.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.289 0.566 . . . . 0.0 109.517 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -88.86 66.75 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.839 0.828 . . . . 0.0 109.642 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.873 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 13.4 mt -87.32 171.18 10.29 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.0 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.873 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 12.4 Cg_exo -2.3 120.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 124.822 3.681 . . . . 0.0 115.323 -136.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 167.82 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 111.393 -2.64 . . . . 0.0 106.499 -176.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.83 31.72 2.79 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 114.119 -1.401 . . . . 0.0 111.279 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.605 ' HD1' ' HA ' ' A' ' 34' ' ' PRO . 60.5 p-90 -63.72 -13.89 47.47 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.039 0.536 . . . . 0.0 112.35 -176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 62.5 t30 -68.18 -20.95 64.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.376 0.608 . . . . 0.0 109.853 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -97.02 4.83 51.28 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.189 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.537 HG13 ' HA ' ' A' ' 37' ' ' TRP . 47.3 mt -57.84 -44.86 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.4 tpp -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.903 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 25.6 tt0 -61.47 -55.35 32.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.286 0.565 . . . . 0.0 110.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.555 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 40.7 t -61.06 -39.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.149 -177.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -59.9 -47.06 87.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.042 0.448 . . . . 0.0 110.493 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.61 -50.61 72.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.582 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 43' ' ' VAL . 54.8 mtmt -56.51 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.604 -177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.4 m -65.17 -43.93 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.4 t80 -68.95 -41.62 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.731 -178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.55 -49.57 74.77 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.39 68.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.509 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -66.56 -33.01 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.766 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HA ' ' CH2' ' B' ' 37' ' ' TRP . 50.4 ttt85 -62.95 -50.6 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.313 175.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 8.5 tp-100 -63.9 -35.65 81.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.382 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.66 -50.25 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.12 -40.0 93.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.75 -37.53 87.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.901 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CZ ' HD12 ' A' ' 8' ' ' LEU . 10.3 t80 -70.67 -35.66 72.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.351 0.596 . . . . 0.0 109.982 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -69.48 -37.89 77.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -56.93 -47.84 79.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.69 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -68.6 -44.26 74.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.003 0.43 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m -61.3 -43.53 98.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.23 73.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.597 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 t -64.63 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.325 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.76 -35.31 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.485 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -77.85 -16.19 58.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.676 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.7 t60 61.04 72.36 0.52 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.619 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -87.04 106.94 18.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.854 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -92.59 98.56 11.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.373 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -66.67 136.61 55.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -116.37 126.08 52.97 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -167.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 C--O 1.25 1.13 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 166.267 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m -104.91 154.18 20.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.393 . . . . 0.0 111.166 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -137.96 178.44 7.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.55 -175.46 15.78 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.579 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.87 -18.17 63.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.54 -55.88 28.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -72.93 -32.83 65.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 109.636 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -57.5 -44.17 84.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.108 177.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.59 -53.66 54.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.018 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.83 88.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.002 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.7 -44.2 64.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.032 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.85 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -56.73 -48.63 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.288 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -55.75 -54.38 45.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.398 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD13 ' B' ' 54' ' ' LEU . 4.3 mm? -63.95 -41.39 97.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.543 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.77 -46.01 92.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 109.971 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.06 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.2 -51.18 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.19 85.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 57.3 m -70.29 -39.62 74.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.363 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.42 87.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.158 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.11 -32.53 74.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.305 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 33' ' ' LEU . 86.0 tttt -61.63 -47.81 83.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.189 0.519 . . . . 0.0 110.373 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.55 -38.19 86.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.808 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.66 -40.23 76.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 33' ' ' LEU . 59.6 tp -62.68 -52.0 65.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.376 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -62.52 -36.2 81.82 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.076 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.9 -45.73 91.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.54 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -75.18 -26.67 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.816 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.92 -26.8 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.261 0.553 . . . . 0.0 109.725 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -107.35 26.7 9.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.184 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.2 mt -45.25 168.74 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 11.4 Cg_exo 0.69 122.72 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.691 0 C-N-CA 125.164 3.909 . . . . 0.0 115.804 -134.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m 167.06 -43.13 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 111.165 -2.743 . . . . 0.0 106.052 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.76 33.52 2.46 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.545 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.622 ' HA ' HG13 ' B' ' 40' ' ' ILE . 62.3 p-90 -65.1 -14.54 60.75 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.399 0.68 . . . . 0.0 112.281 -175.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 49.4 t30 -64.19 -23.85 67.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.314 0.578 . . . . 0.0 110.147 177.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -101.23 3.93 41.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.438 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' B' ' 37' ' ' TRP . 70.1 mt -53.21 -52.1 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.681 0.277 . . . . 0.0 111.306 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.485 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 53.2 ttm -63.62 -46.2 86.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.701 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.13 -50.23 73.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.43 -50.63 79.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.43 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.413 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 36.7 mt-10 -55.23 -55.57 29.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.881 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 11.9 mptt -68.04 -32.11 72.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -175.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 m -62.46 -45.86 91.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.992 0.425 . . . . 0.0 109.989 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.434 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 54.5 t80 -66.69 -44.19 82.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.63 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 46.3 mt-10 -57.55 -47.05 83.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.049 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.43 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.399 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 23' ' ' LYS . 28.6 m-85 -66.33 -40.41 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.504 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.32 -51.16 70.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.449 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.67 -35.66 80.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' B' ' 15' ' ' LEU . 64.9 tp -61.93 -47.6 84.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.877 0.37 . . . . 0.0 110.719 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 11.7 t70 -75.49 -32.98 60.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.505 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.86 -42.69 99.35 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.027 0.442 . . . . 0.0 109.901 173.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.53 -44.36 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.726 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.1 mmp_? -58.41 -44.24 88.94 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.228 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 68.0 mmtt -62.26 -51.06 69.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.259 0.552 . . . . 0.0 110.108 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -61.72 -44.48 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.787 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -59.07 -57.13 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.684 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.31 64.2 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.482 0.489 . . . . 0.0 111.594 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 40.3 m -64.45 -50.84 65.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.337 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -79.9 -25.56 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.391 0.615 . . . . 0.0 110.082 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' B' ' 66' ' ' HIS . 26.6 tt0 -67.52 -15.15 63.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.641 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' B' ' 65' ' ' GLU . 70.1 t60 74.17 6.0 4.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.753 -173.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 60.02 96.35 0.03 OUTLIER 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.834 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -78.63 164.14 24.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.036 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -107.57 157.59 17.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 172.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.67 124.38 20.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 48.3 t60 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.758 -179.532 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.52 0.2 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -90.0 142.74 27.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -152.29 149.94 29.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.01 123.59 5.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.009 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.08 -26.8 68.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.712 0.291 . . . . 0.0 111.096 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.08 -50.89 70.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.78 -38.39 88.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.997 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.5 -51.45 68.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.155 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -65.11 -43.1 93.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.915 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.93 -36.64 83.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -72.33 -44.48 62.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.4 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -43.37 95.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.12 -49.66 77.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.639 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -54.53 -51.29 65.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.395 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -66.95 -37.04 83.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.026 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.47 -47.87 83.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.619 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.36 94.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.942 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.56 -47.87 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.726 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -61.97 -41.35 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.629 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.17 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.3 mm? -64.63 -28.1 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.312 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HG3' ' CD1' ' B' ' 33' ' ' LEU . 66.5 tttm -59.68 -47.89 83.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.991 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -75.32 -24.57 57.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -70.4 -52.98 18.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.967 0.413 . . . . 0.0 110.298 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.77 -36.98 84.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -52.65 -52.8 54.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.241 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -66.91 -35.34 79.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.745 -173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.59 -31.7 57.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.34 -39.57 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.58 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.5 pt-20 -72.32 -38.67 68.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 19.2 t70 -105.75 77.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.799 0.809 . . . . 0.0 110.433 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.001 HD12 ' HG3' ' B' ' 23' ' ' LYS . 8.2 mt -79.21 178.1 2.5 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.837 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 2.0 Cg_exo 6.53 122.98 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.885 1 C-N-CA 126.011 4.474 . . . . 0.0 115.939 -133.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER 179.58 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.187 -2.733 . . . . 0.0 107.116 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.76 60.56 0.66 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 111.397 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.501 ' HE3' ' HA ' ' A' ' 34' ' ' PRO . 12.6 p90 -63.48 -20.67 65.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.763 0.316 . . . . 0.0 111.402 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.538 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 7.3 t30 -70.4 -31.27 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.098 0.475 . . . . 0.0 109.922 176.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.027 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.5 mt -51.76 -50.28 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.476 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.8 ttm -65.36 -40.35 93.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.079 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 46' ' ' LYS . 26.5 tt0 -62.24 -57.2 12.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.52 -44.08 88.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.69 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.38 -46.59 88.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.295 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.27 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 0.0 110.474 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 42' ' ' GLU . 44.1 mtpt -62.45 -35.92 80.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.916 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.42 ' O ' ' HD1' ' A' ' 51' ' ' TYR . 87.1 m -66.7 -49.59 65.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 175.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 60.3 t80 -60.82 -45.87 92.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.975 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.43 -34.39 76.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.332 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.52 67.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.761 0.315 . . . . 0.0 110.514 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' HD1' ' O ' ' A' ' 47' ' ' THR . 50.0 m-85 -66.3 -32.73 74.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -58.06 -56.54 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.652 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -63.46 -37.37 87.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.228 -177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.26 -51.97 65.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 36.4 t70 -70.68 -30.82 67.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.275 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.17 -53.16 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.967 0.413 . . . . 0.0 110.866 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -62.74 -37.58 87.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.863 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HA ' HG22 ' A' ' 61' ' ' THR . 46.5 ttt85 -70.56 -40.48 73.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.719 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -51.89 -53.85 36.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.362 0.601 . . . . 0.0 110.78 176.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -56.03 -55.54 31.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.302 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 58' ' ' ARG . 11.3 t -68.19 -31.0 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.736 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.49 -27.36 64.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 110.773 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -71.87 -44.21 64.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.887 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.73 -28.78 62.86 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.93 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -71.79 -13.92 61.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.208 0.528 . . . . 0.0 109.877 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 66.99 23.49 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.58 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -84.57 -27.3 27.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.318 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -115.03 100.51 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.095 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -167.58 -40.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.927 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.17 132.8 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.1 m170 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.59 174.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.625 0.25 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' B' ' 3' ' ' GLU . 22.1 m -121.71 169.6 10.57 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' B' ' 2' ' ' SER . 31.9 tt0 74.43 146.87 0.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.879 0.737 . . . . 0.0 110.48 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.54 -166.37 31.73 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.835 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -59.15 -25.6 64.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -65.17 -48.56 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 109.968 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.24 -37.29 83.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.477 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.47 ' HA ' ' HZ ' ' B' ' 57' ' ' PHE . 84.8 mt -63.94 -46.22 85.69 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 12.2 mptt -66.44 -38.61 87.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.85 88.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.502 . . . . 0.0 110.645 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -68.44 -45.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.909 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.7 -42.65 99.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.538 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -58.52 -47.2 84.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 110.561 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -58.61 -47.58 83.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.487 HD21 ' OE1' ' B' ' 53' ' ' GLN . 9.5 mp -66.83 -41.37 87.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.87 -47.68 84.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.848 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.32 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.323 -178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -72.9 -46.04 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 110.491 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.203 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 64.8 m -65.68 -37.51 86.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.929 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.42 -49.52 73.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.506 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.82 -36.59 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 1.001 ' HG3' HD12 ' A' ' 33' ' ' LEU . 84.4 tttt -55.79 -55.11 36.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.292 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 22.6 ptm -72.53 -32.24 65.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.46 -43.92 79.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.159 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -66.82 -43.51 83.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.32 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -53.84 -52.61 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.663 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.3 -25.7 61.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.13 -35.06 79.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.702 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.45 -43.54 66.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.99 176.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.56 -22.41 66.69 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.24 0.543 . . . . 0.0 111.205 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.36 29.72 7.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.638 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' HA ' ' B' ' 30' ' ' ALA . 6.2 mt -40.41 176.68 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.676 ' HA ' ' HB3' ' B' ' 37' ' ' TRP . 0.2 OUTLIER 20.19 -91.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.685 0 C-N-CA 123.646 2.898 . . . . 0.0 113.633 -126.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 32.01 -83.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -167.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 34' ' ' PRO . . . -111.37 47.85 1.0 Allowed Glycine 0 C--N 1.333 0.412 0 N-CA-C 112.276 -0.33 . . . . 0.0 112.276 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.676 ' HB3' ' HA ' ' B' ' 34' ' ' PRO . 27.7 p90 -60.99 -21.08 63.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.415 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 66.8 t30 -65.86 -23.44 66.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 0.0 110.27 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -94.43 1.63 55.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.008 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' B' ' 37' ' ' TRP . 62.2 mt -56.01 -44.39 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.27 -38.2 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.747 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.75 -54.97 38.76 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.045 0.45 . . . . 0.0 110.303 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 64.9 t -56.69 -49.26 78.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.477 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.53 86.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.531 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.21 -50.45 73.6 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.193 0.521 . . . . 0.0 110.797 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.87 -29.68 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.325 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -69.28 -46.44 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.365 174.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 74.8 t80 -61.11 -48.31 82.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.58 -47.26 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.422 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.563 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -73.01 -33.72 65.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.42 -50.91 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' B' ' 15' ' ' LEU . 0.0 OUTLIER -65.41 -34.11 77.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.4 -50.7 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.665 177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 31.8 t70 -63.75 -38.03 89.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.799 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.45 ' OE1' ' HD3' ' B' ' 59' ' ' LYS . 5.5 mm-40 -69.8 -43.66 71.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.014 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.47 ' HZ ' ' HA ' ' B' ' 8' ' ' LEU . 66.4 t80 -68.25 -33.44 74.39 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -56.65 -50.61 71.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.568 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 1.6 ptmm? -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.41 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 30.9 m -61.63 -50.86 70.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.294 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -70.87 -25.0 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.77 69.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -74.38 -25.55 59.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.723 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.93 -47.36 7.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -88.02 5.22 41.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.449 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -50.16 -59.14 4.22 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 123.365 0.416 . . . . 0.0 111.088 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -130.31 101.53 5.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.135 0.493 . . . . 0.0 109.889 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -61.54 127.66 32.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.043 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -106.22 -51.66 2.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 68.3 124.03 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.28 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 62.0 m170 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.047 176.332 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m 72.52 -5.94 1.71 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.404 0.682 . . . . 0.0 112.538 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 4.8 pt-20 -88.06 109.95 20.25 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.674 0.75 . . . . 0.0 110.445 -179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.67 136.44 27.72 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.922 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -21.89 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.606 -0.297 . . . . 0.0 111.52 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -67.03 -45.32 77.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.267 0.556 . . . . 0.0 110.118 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.81 -31.97 71.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.934 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.15 -43.62 98.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.163 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -66.67 -40.63 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.361 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.44 87.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.777 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.69 -49.61 75.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -57.69 -43.61 85.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.725 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -57.07 -48.41 78.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.479 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -54.81 -49.99 69.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.969 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.563 ' HB3' ' HG ' ' A' ' 54' ' ' LEU . 4.0 mm? -68.26 -42.28 79.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.54 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -58.83 -51.45 69.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.73 97.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 50' ' ' ALA . 23.4 tt0 -63.55 -49.84 71.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.27 93.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m -72.9 -40.22 65.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.599 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.65 91.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 111.123 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 4.4 mm? -67.86 -26.64 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.791 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -61.32 -55.65 29.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -67.02 -31.52 72.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.53 -39.93 85.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.037 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' VAL . 63.3 tp -72.72 -43.55 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.868 177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 37.2 t-80 -58.85 -44.82 91.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.44 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.126 0.489 . . . . 0.0 110.921 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.9 tp -78.19 -37.94 44.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.911 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.79 62.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.523 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 57.7 mt-10 -75.35 -45.57 38.51 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.724 0.297 . . . . 0.0 110.654 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.38 80.19 2.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.741 0.781 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.71 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 6.7 mt -68.96 -179.72 0.58 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 113.965 -1.47 . . . . 0.0 113.675 -178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER 17.28 -84.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.586 0 C-N-CA 124.492 3.462 . . . . 0.0 113.961 -130.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m 24.83 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -169.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.42 43.43 1.72 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.056 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.487 ' HA ' HG13 ' A' ' 40' ' ' ILE . 49.2 p-90 -54.6 -24.72 22.45 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.882 0.873 . . . . 0.0 112.42 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 21.0 t-20 -63.04 -25.43 68.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.069 0.461 . . . . 0.0 110.587 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 39' ' ' ARG . 43.8 ttt-85 -93.9 -3.22 52.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.378 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG13 ' HA ' ' A' ' 37' ' ' TRP . 62.3 mt -55.64 -43.17 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.526 -177.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.45 -44.71 84.98 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.82 -58.63 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.857 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB2' ' A' ' 26' ' ' LEU . 9.9 t -56.8 -44.29 81.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.129 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.04 84.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.731 0.3 . . . . 0.0 111.067 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.2 -49.22 78.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.033 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -67.24 -37.62 83.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.412 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 84.8 m -63.52 -46.73 84.69 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -53.95 52.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.828 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 23.2 mm-40 -58.57 -36.84 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.68 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB2' HE21 ' A' ' 18' ' ' GLN . . . -64.92 -50.77 65.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.767 0.317 . . . . 0.0 111.07 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -72.52 -33.53 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.828 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 8.9 ptm180 -66.57 -41.94 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.094 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -69.08 -40.37 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -59.15 -45.46 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.328 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -67.01 -43.18 83.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.669 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.61 -43.78 97.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.349 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -59.96 -47.77 84.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -60.61 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m -64.57 -43.14 94.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.202 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.6 m -68.24 -45.46 73.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.21 98.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.18 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -70.48 -25.12 63.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.096 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -81.72 -45.22 15.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.181 -178.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.94 -9.77 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 68.8 30.22 4.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.696 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.35 74.81 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.304 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -119.54 145.1 46.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.477 -173.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -99.12 139.35 34.89 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -137.26 79.26 1.74 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.985 0.422 . . . . 0.0 110.295 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.234 -0.889 . . . . 0.0 109.347 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m 71.57 -5.79 1.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.35 0.66 . . . . 0.0 112.102 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -149.8 -171.51 3.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.186 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.66 140.74 3.2 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.844 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -24.69 67.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.86 -56.52 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.738 -176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.34 -29.56 65.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.308 0.575 . . . . 0.0 110.185 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.04 -38.41 85.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.739 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -76.07 -32.59 59.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.65 96.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.164 0.507 . . . . 0.0 110.203 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -62.43 -46.43 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.151 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.186 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.32 -48.04 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -52.95 -46.92 68.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.027 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.82 -43.12 76.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.217 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -61.1 -47.61 85.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.27 97.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.5 -48.34 81.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.498 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.72 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.081 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 41.2 m -67.86 -37.83 82.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.71 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' B' ' 22' ' ' LEU . 4.2 mm? -68.43 -31.07 70.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.041 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 86.6 tttt -54.19 -51.27 64.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.751 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 49.4 ttm -75.17 -37.69 61.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.668 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.45 -44.49 90.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.96 -45.92 76.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.793 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' B' ' 31' ' ' GLU . 36.4 t-80 -64.11 -41.44 97.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.718 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.13 -41.44 88.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.536 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 tp -68.88 -38.54 79.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.976 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.12 83.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 27' ' ' HIS . 40.2 mm-40 -73.19 -22.51 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 0.0 111.062 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -113.32 26.15 10.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.7 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.866 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.0 mt -42.48 168.65 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.589 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.866 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.6 Cg_exo -0.32 122.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.439 -1.697 0 C-N-CA 125.108 3.872 . . . . 0.0 115.81 -135.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.715 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 11.0 m 169.79 -60.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 111.505 -2.588 . . . . 0.0 107.24 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.73 26.49 5.66 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.809 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.715 ' HD1' ' H ' ' B' ' 35' ' ' THR . 25.1 p-90 -64.32 -10.94 27.43 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.088 0.555 . . . . 0.0 111.908 -177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.93 -13.62 61.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.281 0.563 . . . . 0.0 110.085 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.404 ' O ' HG23 ' B' ' 43' ' ' VAL . 31.4 ttt180 -103.73 2.05 32.51 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 tt -60.97 -35.88 68.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.59 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 97.0 mmm -64.76 -51.81 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.648 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' B' ' 45' ' ' GLU . 29.5 tt0 -57.16 -45.94 83.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.338 0.589 . . . . 0.0 110.878 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 39' ' ' ARG . 48.8 t -60.85 -44.96 98.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.451 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.06 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.07 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 41' ' ' MET . 57.5 mt-10 -53.99 -57.74 9.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.724 176.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -40.34 91.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.349 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.4 m -60.53 -50.43 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.46 ' HE1' ' HA ' ' A' ' 38' ' ' ASN . 30.6 t80 -61.66 -48.4 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 33.6 mt-10 -59.35 -44.91 92.61 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.32 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.67 93.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -66.4 -38.84 88.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 110.332 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -58.35 -53.2 61.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.582 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 93.5 mt-30 -61.84 -38.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.183 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.48 -49.97 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.5 -43.25 94.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.4 -42.44 99.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.696 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.34 -43.89 96.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.87 0.366 . . . . 0.0 110.014 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' B' ' 58' ' ' ARG . 1.7 mmp_? -61.56 -47.89 83.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.185 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.13 -44.17 97.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.414 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 24.9 m -68.99 -44.91 71.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.242 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -65.36 -45.53 83.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -36.28 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -64.84 -44.67 89.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.2 mm? -76.98 -29.76 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.48 -17.27 61.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.584 0.707 . . . . 0.0 110.172 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.95 -13.83 58.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.719 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -56.8 -67.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.514 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.8 m170 57.38 -172.71 0.09 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.622 0.725 . . . . 0.0 111.736 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -98.29 139.97 33.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.743 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -163.98 134.83 4.43 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.583 -0.723 . . . . 0.0 109.646 179.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -88.19 155.59 19.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -101.34 105.01 16.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.639 0.733 . . . . 0.0 110.829 -175.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 8' ' ' LEU . . . -143.02 170.93 25.12 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.49 -51.3 70.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -66.72 -46.77 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.121 0.486 . . . . 0.0 110.368 -175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.32 -40.16 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.016 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 2.1 tt -58.41 -52.23 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.449 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -64.57 -45.7 85.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.084 -175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.18 97.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.734 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 1.1 tpmt? -69.5 -47.02 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.447 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.5 tp -57.72 -46.36 84.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.093 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.17 -50.39 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -63.51 -47.09 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.112 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 ' CD2' ' HE2' ' A' ' 11' ' ' LYS . 3.9 mm? -66.72 -41.19 88.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.423 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -60.09 -45.83 91.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.234 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.71 75.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.794 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -59.13 -52.17 66.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -64.07 -41.73 97.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.754 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.69 92.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -37.1 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.77 -38.97 76.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.737 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -75.08 -46.35 35.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.001 0.429 . . . . 0.0 110.52 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.08 -47.62 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.239 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.71 -41.96 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.033 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -62.42 -37.46 85.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.407 . . . . 0.0 110.555 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.97 -37.73 61.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.029 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.501 HD22 HG21 ' A' ' 43' ' ' VAL . 49.1 tp -69.33 -39.45 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 110.461 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -25.66 68.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.745 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -75.13 -40.5 59.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.085 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.25 33.39 0.98 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.334 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.03 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.5 mt -53.44 175.08 0.14 Allowed Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.931 176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 1.03 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.66 20.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.353 1 C-N-CA 126.127 4.551 . . . . 0.0 117.983 -146.131 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -129.21 146.48 51.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 162.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.5 14.36 27.44 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.812 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.525 ' HB2' ' HD2' ' B' ' 51' ' ' TYR . 35.8 p90 -54.06 -24.98 19.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.15 0.58 . . . . 0.0 112.541 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.83 -21.19 66.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -103.74 3.5 34.22 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.615 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.494 HG13 ' HA ' ' A' ' 37' ' ' TRP . 74.9 mt -58.69 -45.88 90.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.895 0.379 . . . . 0.0 110.486 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -48.49 79.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.944 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.0 tt0 -58.49 -56.08 26.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.863 -178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 HD22 ' A' ' 29' ' ' LEU . 62.1 t -61.51 -41.73 91.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.64 98.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 110.614 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.26 -49.3 78.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.315 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 55.4 mtmt -64.02 -37.92 89.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.441 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -67.89 -45.28 74.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.123 0.487 . . . . 0.0 110.545 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 86.1 t80 -60.41 -46.58 89.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.756 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 17.6 tp10 -61.11 -39.06 88.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.757 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.34 -54.27 42.92 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.761 176.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -63.35 -40.8 98.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.756 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 5.6 ptm180 -64.22 -42.37 96.6 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.336 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 19.4 tp60 -72.07 -33.76 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.428 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 15' ' ' LEU . 2.0 mp -54.48 -51.98 63.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.963 0.411 . . . . 0.0 110.657 175.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.61 -44.26 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.674 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 30.0 mt-10 -62.1 -38.0 87.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.87 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 82.2 t80 -70.1 -41.81 73.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -64.66 -46.46 82.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.625 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 8.9 ptmt -67.53 -29.39 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.065 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.6 t -79.88 -56.54 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.042 0.448 . . . . 0.0 110.626 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.469 HG21 ' HG ' ' A' ' 8' ' ' LEU . 32.3 m -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.44 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.16 -28.65 69.55 Favored 'General case' 0 CA--C 1.52 -0.185 0 O-C-N 121.898 -0.501 . . . . 0.0 110.127 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 m -70.86 -39.64 72.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.98 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.79 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.866 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.98 -5.69 40.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 64.49 28.73 13.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.978 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -93.03 -48.46 6.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.192 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -66.39 121.29 14.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.652 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -73.9 152.83 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.998 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -117.2 93.78 4.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.3 t60 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.562 -0.732 . . . . 0.0 109.914 -178.506 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 121.059 0.456 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -146.75 133.57 20.1 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.52 104.09 16.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.714 0.769 . . . . 0.0 110.686 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.88 137.82 7.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.767 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.28 -26.4 64.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.22 -44.52 62.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.049 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -57.87 -43.46 86.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.363 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.91 -47.27 81.22 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.843 177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.64 -49.4 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.76 92.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.966 0.412 . . . . 0.0 111.058 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.03 -43.32 71.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 tp -65.37 -38.43 90.01 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.799 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -57.91 -44.4 86.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -61.69 -52.22 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.628 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.04 -46.24 90.17 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.523 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.76 -44.45 90.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.876 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.97 90.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.414 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.5 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 26.8 tt0 -60.44 -44.55 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.497 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.08 85.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.33 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 47.3 m -63.53 -38.96 93.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.731 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.37 94.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.652 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 18' ' ' GLN . 94.0 mt -66.04 -42.13 89.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.483 ' HG2' HD13 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -55.63 -43.02 75.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.016 0.436 . . . . 0.0 109.997 176.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt -68.18 -47.41 68.06 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.03 -39.79 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.507 -173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.2 -44.92 93.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 0.0 110.3 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.23 -33.4 73.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.983 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.65 -42.39 86.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 tp -68.87 -33.68 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.18 -26.75 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.695 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -85.27 -22.43 28.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.418 176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.76 23.55 6.93 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.981 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.993 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.2 mt -51.8 173.61 0.13 Allowed Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.993 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 17.91 20.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.638 1 C-N-CA 127.169 5.246 . . . . 0.0 119.068 -148.534 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 33' ' ' LEU . 2.0 p -129.19 132.56 47.31 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 160.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.62 18.18 69.78 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.556 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -57.29 -21.65 36.24 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.181 0.491 . . . . 0.0 111.738 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -63.58 -22.99 67.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -77.74 -18.22 56.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.351 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.93 -48.08 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' B' ' 41' ' ' MET . 9.3 mmt -60.12 -43.02 95.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 111.404 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -67.74 -54.93 15.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.155 0.503 . . . . 0.0 110.427 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.3 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.268 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.17 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.46 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -72.37 -31.46 65.6 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.994 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' B' ' 46' ' ' LYS . 7.7 tppt? -64.22 -49.17 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.841 175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.42 ' HA ' HD13 ' B' ' 22' ' ' LEU . 56.6 m -62.55 -44.62 95.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.339 -178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.93 -50.1 74.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.121 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -49.49 76.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 0.0 110.566 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.78 98.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.692 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . 0.525 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 13.2 m-30 -69.02 -44.16 73.29 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.04 -51.69 65.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 110.685 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.61 -29.6 70.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.359 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.97 -46.12 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.717 0.294 . . . . 0.0 110.212 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.98 -43.17 93.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.084 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.94 -35.47 81.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 61' ' ' THR . 78.5 t80 -63.37 -45.05 92.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.45 -47.19 84.79 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -56.03 -49.95 72.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.123 0.487 . . . . 0.0 111.035 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -63.48 -51.24 66.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.071 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 57' ' ' PHE . 11.1 t -73.43 -34.56 65.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.772 -173.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.47 -34.87 79.2 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.49 0.586 . . . . 0.0 111.26 -177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 35.8 m -64.91 -33.99 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.455 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.0 mm? -91.7 -20.43 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.39 -14.19 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.2 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 70.12 20.72 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.92 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.6 m170 69.95 -44.25 0.55 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.921 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -95.03 104.27 16.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' B' ' 70' ' ' HIS . 9.3 t-160 -74.18 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.362 -173.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 69' ' ' HIS . 50.5 t-80 173.13 159.21 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.622 174.277 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.987 0.422 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -88.06 -2.3 58.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.291 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 83.73 121.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.257 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.9 134.39 10.79 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.328 -169.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.64 63.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.836 0.35 . . . . 0.0 110.29 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -65.11 -48.5 73.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.425 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 9.3 mp0 -62.18 -40.77 97.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.135 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 HD11 HG23 ' A' ' 61' ' ' THR . 2.2 tt -60.72 -47.72 85.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.145 178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -61.92 -45.48 93.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.976 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.96 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.844 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HE3' ' OE1' ' A' ' 53' ' ' GLN . 1.1 tmtm? -68.17 -49.08 63.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.809 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.14 -39.95 94.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -58.02 -50.61 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.14 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 1.3 tppp? -58.21 -47.05 84.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.142 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 54' ' ' LEU . 78.7 mt -61.51 -46.6 89.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.581 0.229 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.03 -48.57 81.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 109.931 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.22 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.186 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.44 -45.69 91.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.496 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.43 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -72.3 -40.57 67.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.65 90.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.945 0.402 . . . . 0.0 110.71 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 95.4 mt -69.01 -31.85 70.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.753 ' HG2' HD13 ' B' ' 33' ' ' LEU . 13.9 tmtt? -63.17 -49.85 72.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.657 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -70.65 -28.02 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.744 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.99 -41.07 64.69 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 33' ' ' LEU . 58.2 tp -63.48 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.514 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.49 -43.16 86.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.89 -39.28 88.69 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.511 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 40' ' ' ILE . 51.7 tp -60.06 -44.56 94.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.288 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.513 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.3 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.12 -22.64 48.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.503 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.45 40.21 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.547 0.689 . . . . 0.0 110.772 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.907 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.0 mt -60.45 167.91 2.8 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.547 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 1.3 Cg_exo 3.69 133.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.376 1 C-N-CA 126.578 4.852 . . . . 0.0 116.745 -148.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.618 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 63.1 m 97.62 -16.8 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 113.481 -1.691 . . . . 0.0 109.452 -163.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.08 11.45 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.665 171.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.618 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.5 p-90 -65.14 -27.93 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -79.35 -19.13 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.375 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 29' ' ' LEU . 8.6 ttm180 -74.03 -19.01 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.843 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.631 ' HA ' HD21 ' A' ' 29' ' ' LEU . 79.7 mt -55.88 -49.88 72.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.436 -174.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.511 ' CE ' ' HA ' ' A' ' 41' ' ' MET . 1.7 mmt -60.87 -42.98 98.95 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -175.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 35.5 tt0 -62.52 -55.67 25.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.815 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.06 -49.17 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.99 87.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.995 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -66.09 -53.65 35.44 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE2' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -62.7 -40.41 97.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.713 -177.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 22' ' ' LEU . 40.0 m -67.09 -47.0 72.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 111.179 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 42.5 t80 -63.27 -43.48 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.348 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.73 -36.51 84.09 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.11 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.76 87.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.821 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -63.8 -40.19 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -66.28 -47.05 74.9 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.861 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.51 ' OE1' ' HE3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.06 -35.39 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 15' ' ' LEU . 52.9 tp -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.833 0.349 . . . . 0.0 110.377 176.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 31.6 t70 -68.45 -44.07 75.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.61 -48.86 71.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.453 0.701 . . . . 0.0 111.224 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -66.39 -34.67 78.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.314 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -33.51 75.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.989 177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 74.8 mmtt -69.77 -43.16 72.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 109.921 175.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -60.63 -45.6 93.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.119 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.559 HG23 HD11 ' A' ' 8' ' ' LEU . 54.4 m -62.36 -36.81 83.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.785 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -36.61 78.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.006 0.431 . . . . 0.0 110.636 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 m -63.06 -24.18 67.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.892 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 64' ' ' LEU . 4.1 mm? -98.1 -40.61 8.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.99 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -69.98 -15.49 63.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.185 -172.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -59.2 -24.86 63.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.391 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 54.68 93.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -79.48 -69.46 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -161.51 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.159 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 66.89 -87.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.693 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.309 -175.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -140.49 145.44 36.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -103.02 115.39 30.5 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.69 126.53 8.51 Favored Glycine 0 C--N 1.309 -0.96 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.383 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.85 -20.75 66.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.94 -53.24 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.446 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -63.68 -37.32 86.9 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.278 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.81 -51.66 68.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.672 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.0 93.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.261 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -75.8 -43.73 44.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.818 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.24 -44.04 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.981 0.419 . . . . 0.0 110.024 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -61.47 -38.85 88.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.772 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -68.84 -46.85 67.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.662 -178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.43 -41.37 96.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.13 -47.65 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.111 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.49 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.03 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.38 80.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' B' ' 23' ' ' LYS . 51.2 m -73.32 -39.61 65.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.343 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.79 75.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.687 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 22' ' ' LEU . 4.2 mm? -68.13 -28.2 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.648 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' B' ' 20' ' ' THR . 11.2 pttp -69.47 -32.66 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 20' ' ' THR . 65.7 mtt -69.43 -43.44 73.38 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -47.24 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.662 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.21 -50.17 69.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.136 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 t60 -58.5 -43.66 89.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.05 -38.74 63.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.023 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' B' ' 36' ' ' GLY . 38.6 tp -66.27 -37.21 84.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -25.97 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.059 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.22 -22.34 30.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.139 0.495 . . . . 0.0 109.896 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -102.82 24.38 10.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.835 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.983 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -46.89 173.84 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 113.962 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.983 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.23 20.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.366 1.49 1 C-N-CA 126.163 4.575 . . . . 0.0 117.977 -145.884 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.55 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -128.98 134.84 48.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 159.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' B' ' 29' ' ' LEU . . . 73.01 10.37 77.65 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.555 -174.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.405 ' HA ' HG13 ' B' ' 40' ' ' ILE . 33.8 p90 -54.68 -29.52 53.09 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.018 0.527 . . . . 0.0 112.306 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 27.2 t-20 -74.96 -18.46 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 110.371 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -102.01 3.09 38.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.405 HG13 ' HA ' ' B' ' 37' ' ' TRP . 59.1 mt -56.39 -50.76 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.956 -177.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 54.6 ttm -65.65 -34.98 79.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 33.0 tt0 -59.29 -55.02 40.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.903 0.383 . . . . 0.0 110.928 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.28 -51.85 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.52 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.451 ' HB1' HG22 ' A' ' 40' ' ' ILE . . . -54.74 -39.35 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.653 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 42' ' ' GLU . 17.8 mt-10 -50.94 -61.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.364 175.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 46' ' ' LYS . 13.1 mptt -71.43 -33.72 69.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.92 -172.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -63.21 -48.39 78.52 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -67.48 -49.25 64.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.686 0.279 . . . . 0.0 110.998 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' B' ' 52' ' ' ARG . 30.7 mm-40 -59.8 -35.28 74.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.588 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.69 -47.68 68.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.38 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.38 -45.15 95.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.48 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.725 ' HG2' ' HA ' ' B' ' 49' ' ' GLU . 2.1 ptm180 -64.59 -41.8 96.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.857 -177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -72.35 -35.19 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.539 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -49.95 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.6 t70 -67.82 -39.71 83.89 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.817 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -58.69 -48.72 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 111.068 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -63.83 -39.17 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.8 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -59.18 -49.68 76.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 25.9 mttm -60.15 -46.45 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.314 0.578 . . . . 0.0 110.48 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -59.17 -56.64 19.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.5 t -65.55 -37.95 88.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.718 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.51 -34.79 78.55 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.963 0.411 . . . . 0.0 111.045 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 15.3 m -73.18 -40.15 65.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.977 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.3 mm? -74.84 -34.4 62.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.406 ' CD ' ' HD1' ' B' ' 68' ' ' HIS . 21.8 tt0 -72.18 -17.2 61.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.561 0.696 . . . . 0.0 110.357 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 66.05 22.77 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.523 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 68.52 103.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.153 -0.93 . . . . 0.0 112.277 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.406 ' HD1' ' CD ' ' B' ' 65' ' ' GLU . 6.1 p-80 -67.63 165.57 16.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.203 175.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -104.89 -173.34 2.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.778 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -93.78 112.61 24.51 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.55 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 . . . . . 0 C--O 1.25 1.094 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.396 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 2' ' ' SER . 60.6 mtt . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' A' ' 1' ' ' MET . 49.8 m 68.93 11.67 8.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.986 0.898 . . . . 0.0 110.457 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.1 162.42 25.38 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.866 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.87 114.47 0.61 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.078 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.53 -34.2 73.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -71.57 -44.7 64.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.2 0.524 . . . . 0.0 110.267 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -66.02 -34.84 79.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.423 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.441 HD12 ' HZ ' ' A' ' 57' ' ' PHE . 13.1 tp -63.64 -48.55 76.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.68 174.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.98 -47.01 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.729 177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.95 86.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.119 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -65.72 -51.58 58.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.93 -42.0 83.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.469 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -57.78 -50.46 73.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -60.79 -42.55 97.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.186 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.17 -44.59 79.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -61.07 -44.36 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.216 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.32 84.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.904 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.91 -46.03 92.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.618 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -42.05 88.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.54 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 24' ' ' MET . 50.9 m -67.77 -38.24 83.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.14 92.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.857 0.361 . . . . 0.0 111.137 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.58 -37.48 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.0 -39.7 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.178 177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.3 mmt -63.27 -48.89 76.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.963 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.3 -38.79 85.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.109 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.78 -39.18 90.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.815 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -63.86 -37.35 87.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.78 -44.82 84.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 40' ' ' ILE . 58.2 tp -61.4 -30.17 70.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.12 87.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 110.43 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -85.25 -23.17 28.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.212 0.529 . . . . 0.0 110.631 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 14.3 t70 -94.41 15.9 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.316 -175.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.98 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.2 mt -58.94 169.63 1.06 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.348 177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.98 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER 14.83 21.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 126.672 4.914 . . . . 0.0 118.68 -151.532 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 33' ' ' LEU . 14.8 m -113.15 -48.44 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.971 0.415 . . . . 0.0 109.946 169.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.68 40.28 2.58 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.975 -0.631 . . . . 0.0 113.224 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.451 ' HA ' HG13 ' A' ' 40' ' ' ILE . 37.7 p90 -51.53 -25.42 6.66 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -62.59 -18.82 62.91 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 111.052 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -91.51 -13.8 31.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HA ' HD21 ' A' ' 29' ' ' LEU . 63.7 mt -53.25 -52.31 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -171.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.2 ttm -77.3 -34.85 55.42 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.545 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.74 -58.41 6.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.155 0.503 . . . . 0.0 110.641 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.88 -39.71 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.67 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG22 ' B' ' 40' ' ' ILE . . . -59.39 -46.73 87.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.01 178.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.81 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 46' ' ' LYS . 7.1 ttmm -66.25 -39.85 89.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.861 -176.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 m -66.68 -41.76 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.989 0.423 . . . . 0.0 110.272 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -57.03 -52.91 63.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.237 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.08 -46.99 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.758 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.07 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CZ ' ' HG3' ' B' ' 34' ' ' PRO . 32.5 m-85 -73.0 -35.38 66.83 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -64.8 -50.83 65.22 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.407 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.63 -39.51 91.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.418 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 55.6 tp -59.61 -45.09 92.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.067 0.46 . . . . 0.0 110.913 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 t70 -71.39 -46.54 60.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.39 -36.63 80.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.354 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HZ ' HD12 ' A' ' 8' ' ' LEU . 72.1 t80 -59.58 -41.82 91.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.538 174.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.649 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.32 -41.79 84.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.242 178.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 72.2 mmtt -60.34 -52.21 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.468 . . . . 0.0 110.098 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 t -59.99 -45.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.567 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.5 m -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.9 82.54 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.309 . . . . 0.0 111.556 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.4 m -61.94 -39.08 90.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.351 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.39 -18.84 27.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.457 0.646 . . . . 0.0 110.396 -177.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -73.28 -15.16 61.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.893 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 45.8 t60 65.95 43.84 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 54.5 t-80 -70.56 -7.96 47.85 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.336 -172.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 61.9 t60 70.27 84.04 0.14 Allowed 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -173.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 68' ' ' HIS . 54.5 t60 71.85 134.11 0.04 OUTLIER 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.818 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -117.31 113.9 22.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.009 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.498 179.512 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.94 0.4 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -81.77 147.1 29.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.971 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.26 144.72 46.62 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.033 0.444 . . . . 0.0 110.215 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.58 123.69 2.81 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.572 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.44 -32.16 73.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.994 0.426 . . . . 0.0 110.806 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.51 -54.88 41.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.019 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.63 -34.29 77.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 26.4 tp -65.72 -44.17 86.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.442 0.639 . . . . 0.0 110.003 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -71.12 -33.11 69.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.847 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.55 96.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.21 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.91 -49.3 78.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.662 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.53 -42.05 82.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.84 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -55.53 -49.97 71.23 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -55.68 -51.07 68.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.239 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.28 -49.77 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.314 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -56.25 -53.51 56.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.36 95.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.518 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.83 -47.11 79.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.74 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.044 0.45 . . . . 0.0 111.19 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -65.36 -39.59 92.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 22' ' ' LEU . 3.5 mm? -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.309 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.37 -31.33 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.708 0.289 . . . . 0.0 110.379 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.35 -48.88 71.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.174 0.512 . . . . 0.0 109.954 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.99 -38.98 93.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.79 -42.14 97.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.49 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.35 -46.47 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.694 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.57 -34.08 70.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' B' ' 40' ' ' ILE . 60.8 tp -82.87 -49.86 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.283 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.66 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.75 -35.19 79.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -176.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.6 -22.02 61.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 110.297 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -114.61 25.6 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.028 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 10.5 mt -44.52 175.68 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.424 1.09 . . . . 0.0 113.285 175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 1.028 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 22.98 20.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.288 1 C-N-CA 126.175 4.583 . . . . 0.0 117.937 -145.41 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.6 OUTLIER -129.39 145.03 51.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 161.017 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.87 11.91 58.83 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.281 -0.485 . . . . 0.0 113.768 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.642 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.5 p90 -56.5 -24.25 44.97 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -65.37 -21.2 66.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.808 0.337 . . . . 0.0 111.008 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -105.12 4.74 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.374 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' B' ' 37' ' ' TRP . 48.9 mt -54.48 -46.42 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.586 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.4 -37.29 80.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.735 -176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.79 -56.45 17.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.0 0.428 . . . . 0.0 110.567 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.95 -44.64 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.28 -35.23 78.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.492 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 44.8 tt0 -56.84 -59.29 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.263 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -33.97 76.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.32 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -63.08 -43.75 97.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.237 0.541 . . . . 0.0 110.227 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.3 -44.98 74.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 47.9 mt-10 -55.67 -50.8 69.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.164 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -47.6 69.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.613 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 34' ' ' PRO . 9.3 m-85 -67.7 -31.98 72.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -59.96 -55.06 38.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.97 174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.43 -32.91 74.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.659 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.62 -42.05 98.22 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.2 -40.89 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.651 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.02 -43.09 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.114 0.483 . . . . 0.0 110.177 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.26 -43.67 97.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.145 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.43 -46.86 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -58.91 -46.56 87.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.827 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 18.0 t -69.92 -44.18 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.092 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -69.92 -43.25 72.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -32.71 72.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.049 0.452 . . . . 0.0 110.781 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 30.1 m -66.49 -38.31 86.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.692 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.419 HD13 ' O ' ' B' ' 64' ' ' LEU . 2.9 tm? -74.84 -35.61 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.0 -3.51 13.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 0.0 112.338 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -79.25 -10.7 59.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.615 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -118.26 149.78 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.428 -173.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m170 63.23 18.38 10.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -71.31 -59.26 2.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.541 -0.463 . . . . 0.0 109.882 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -169.04 173.82 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.681 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.076 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -98.44 143.1 29.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -157.72 139.4 13.92 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.21 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.86 -169.5 27.28 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.147 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.585 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -68.82 -17.75 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.55 -56.49 19.46 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.39 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.08 -38.56 91.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.316 0.579 . . . . 0.0 109.527 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 1.7 mm? -54.93 -45.83 74.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.994 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.0 tppt? -66.52 -50.35 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.03 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.18 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.027 0.441 . . . . 0.0 110.996 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -74.97 -42.53 57.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.647 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.56 -39.97 92.28 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -54.19 -51.83 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.46 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 85.1 mt -63.72 -40.49 96.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.945 -175.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.81 -44.03 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.675 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.6 86.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.499 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -57.62 -54.47 46.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.629 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.39 90.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.675 -178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -61.2 -43.46 98.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.151 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.16 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.062 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.33 -33.19 75.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.438 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -58.98 -51.56 69.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.709 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 70.3 mtm -67.75 -38.61 83.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.941 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.23 -43.21 78.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.19 -37.94 78.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -55.25 -54.15 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.729 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.44 -25.72 63.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.13 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 40' ' ' ILE . 62.0 tp -63.92 -40.77 97.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.155 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.27 -27.04 61.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.837 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.45 -25.52 60.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.589 175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.97 53.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 0.0 110.003 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.872 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -60.59 169.89 1.63 Allowed Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.422 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.872 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 11.6 Cg_exo -4.69 122.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 125.195 3.93 . . . . 0.0 116.169 -137.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 m 174.86 -53.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.175 -2.739 . . . . 0.0 106.143 174.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.39 27.16 6.42 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.904 172.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' HA ' HG13 ' A' ' 40' ' ' ILE . 67.8 p-90 -56.58 -30.06 62.76 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -67.36 -28.23 67.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.468 0.651 . . . . 0.0 109.982 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HE ' ' CD ' ' A' ' 42' ' ' GLU . 11.2 ttm180 -89.51 -3.45 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.724 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 37' ' ' TRP . 27.5 mt -54.0 -44.24 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 175.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.7 tpp -61.24 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' CD ' ' HE ' ' A' ' 39' ' ' ARG . 28.6 tt0 -73.7 -50.45 20.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.17 -48.52 85.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.969 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.42 -50.97 71.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.891 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.79 -49.45 77.61 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.841 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.51 HG22 ' CE2' ' A' ' 51' ' ' TYR . 11.7 m -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.132 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HE1' ' HA ' ' B' ' 38' ' ' ASN . 43.6 t80 -68.49 -42.11 79.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.693 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.31 -39.96 80.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.952 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.15 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CE2' HG22 ' A' ' 47' ' ' THR . 24.8 m-85 -62.94 -36.61 84.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.493 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -63.56 -48.77 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.231 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -53.27 -48.63 68.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.15 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.55 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 8.2 mp -58.98 -48.92 79.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 111.104 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.17 -44.75 87.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.067 -176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.69 -40.48 95.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.309 0.576 . . . . 0.0 110.592 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CZ ' HD13 ' A' ' 8' ' ' LEU . 21.4 t80 -65.14 -40.23 94.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.988 177.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -65.44 -43.27 90.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.97 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -58.33 -49.35 77.49 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 111.099 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 p -68.46 -43.53 76.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 57' ' ' PHE . 15.2 t -69.92 -34.88 74.08 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.034 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.23 90.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.13 0.491 . . . . 0.0 110.927 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -70.15 -33.99 72.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.24 -46.78 31.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.42 -15.0 63.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -87.05 -22.81 25.22 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.7 t60 62.73 14.32 7.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.47 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -99.3 103.63 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -158.47 108.63 2.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.699 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -120.49 128.66 53.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.314 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.157 0.503 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -154.8 174.09 15.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.782 ' HB2' ' HB3' ' B' ' 64' ' ' LEU . 8.1 tp10 -125.28 145.73 49.87 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.942 0.401 . . . . 0.0 110.203 -177.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' B' ' 8' ' ' LEU . . . -129.72 114.95 1.79 Allowed Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -35.78 71.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.35 -51.79 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 110.638 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.31 -38.68 84.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 176.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 4' ' ' GLY . 2.0 tt -54.86 -51.86 64.62 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.925 177.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -66.65 -41.59 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.733 -175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.24 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.324 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.04 -45.03 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.59 -41.85 91.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.134 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -57.73 -51.13 70.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.754 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' B' ' 14' ' ' LYS . 0.9 OUTLIER -58.61 -46.64 86.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.449 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 15' ' ' LEU . 4.1 mm? -68.38 -39.65 81.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -64.88 -44.55 89.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.433 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.84 -57.47 11.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.229 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.54 -35.71 70.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.441 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -66.3 -33.58 76.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.85 -40.28 75.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.27 -26.02 67.14 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.502 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -56.64 -45.51 81.52 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -71.14 -42.3 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.416 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -44.14 84.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HA ' HG11 ' B' ' 43' ' ' VAL . 64.8 tp -77.62 -47.35 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -61.67 -39.17 90.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.22 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.7 -39.79 95.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.176 0.512 . . . . 0.0 110.348 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -71.69 -36.78 70.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.819 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -64.35 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.473 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.35 -34.67 55.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.852 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -104.35 26.49 8.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.18 0.514 . . . . 0.0 110.59 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.992 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 12.3 mt -43.43 174.34 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.066 0.947 . . . . 0.0 113.45 175.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 20.83 19.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 1 C-N-CA 126.657 4.905 . . . . 0.0 118.597 -144.947 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.497 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -128.05 133.67 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 160.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.95 9.58 71.29 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.191 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.525 ' HA ' HG13 ' B' ' 40' ' ' ILE . 70.7 p-90 -58.09 -21.02 44.29 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.45 ' HA ' ' HE1' ' A' ' 48' ' ' TYR . 61.2 t30 -61.63 -25.49 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.324 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.406 ' O ' HG23 ' B' ' 43' ' ' VAL . 58.6 mtp180 -92.77 0.07 57.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.05 -175.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.525 HG13 ' HA ' ' B' ' 37' ' ' TRP . 51.1 mt -54.83 -49.27 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.497 0.189 . . . . 0.0 111.396 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 38.0 ttm -68.29 -35.27 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.918 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' B' ' 46' ' ' LYS . 26.8 tt0 -62.14 -53.15 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.297 0.57 . . . . 0.0 110.414 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.54 HG11 ' HA ' ' B' ' 26' ' ' LEU . 57.7 t -63.89 -38.29 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.827 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.38 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.765 0.317 . . . . 0.0 110.521 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.69 84.51 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' B' ' 42' ' ' GLU . 65.9 mttt -60.17 -49.79 76.25 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.637 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.5 m -60.57 -49.51 77.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.21 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.28 -49.24 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.266 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.99 -46.39 90.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.39 -51.98 66.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.72 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -69.44 -37.01 77.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.404 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -64.82 -50.82 65.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.509 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -59.19 -39.91 84.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.627 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 40.7 tp -58.62 -49.93 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.037 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.38 -39.93 92.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -42.05 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -60.85 -42.66 98.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.064 175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.1 mtp180 -64.34 -39.24 93.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.14 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.37 -38.53 81.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 33.8 t -63.28 -54.43 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.496 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.474 HG22 ' HA ' ' B' ' 58' ' ' ARG . 11.0 t -65.63 -35.61 81.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.562 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.54 -29.47 69.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.124 0.487 . . . . 0.0 110.874 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 18.7 m -73.26 -36.92 66.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.782 ' HB3' ' HB2' ' B' ' 3' ' ' GLU . 3.8 mm? -85.67 -31.25 22.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.431 -177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.37 -6.23 44.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.293 0.568 . . . . 0.0 110.86 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -86.54 -48.63 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.421 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -132.25 121.36 23.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 110.359 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -104.26 111.21 23.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.011 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 55.68 -97.21 0.07 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.529 0.518 . . . . 0.0 111.238 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 11.4 p80 173.8 -17.04 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.116 0.966 . . . . 0.0 108.525 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.685 175.243 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.736 0.303 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -84.62 -6.81 59.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.824 0.821 . . . . 0.0 111.017 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.7 108.26 16.87 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.783 173.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.94 122.0 7.4 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.433 -175.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.64 -19.27 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.764 0.316 . . . . 0.0 110.354 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.45 -46.47 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.547 0.689 . . . . 0.0 110.236 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.54 -37.84 83.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.922 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.22 -37.21 80.61 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.606 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.38 -51.9 60.96 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.335 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.29 84.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.772 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -62.74 -53.52 53.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.61 177.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.23 -34.6 78.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.712 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.29 -47.82 84.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.954 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -64.42 -48.44 75.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 88.2 mt -60.41 -36.14 77.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.679 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.99 -43.26 99.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.928 0.395 . . . . 0.0 110.31 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.89 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.337 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -58.25 -51.71 68.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.572 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.46 74.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.533 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -75.02 -46.91 31.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.16 91.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.21 -38.37 90.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.006 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HG3' HD13 ' B' ' 33' ' ' LEU . 84.3 tttt -59.11 -45.44 90.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.999 0.428 . . . . 0.0 110.462 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.5 mtp -66.3 -48.05 71.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.853 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.9 -43.89 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD23 HD11 ' B' ' 33' ' ' LEU . 67.3 tp -61.0 -48.43 81.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.756 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 5.7 t60 -62.32 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.38 -44.07 92.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 43' ' ' VAL . 58.9 tp -64.83 -37.09 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.671 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' B' ' 27' ' ' HIS . . . -65.99 -26.93 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.036 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 38.7 mm-40 -70.63 -35.55 72.98 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 176.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -112.5 65.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.774 0.797 . . . . 0.0 110.35 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.058 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.7 mt -70.9 176.24 2.14 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.593 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 1.058 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 18.14 19.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.368 1.553 1 C-N-CA 127.365 5.377 . . . . 0.0 119.309 -149.548 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -111.18 133.65 53.38 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 155.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.74 7.55 42.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.053 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 2.1 p90 -56.44 -22.59 33.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 111.3 178.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -71.55 -16.83 62.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.06 0.457 . . . . 0.0 111.035 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 28.5 ttt-85 -98.86 1.07 45.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.309 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.579 HG13 ' HA ' ' A' ' 37' ' ' TRP . 15.6 mt -51.75 -43.25 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.817 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.23 -44.1 96.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.546 0.212 . . . . 0.0 110.914 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -59.06 -51.37 70.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 29' ' ' LEU . 32.7 t -60.3 -46.1 95.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.756 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.08 86.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -59.16 -61.32 2.72 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.175 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.18 -44.35 83.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.98 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.472 HG21 HD22 ' A' ' 26' ' ' LEU . 40.9 m -63.92 -46.81 83.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.991 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.041 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.8 -41.8 87.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.236 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -55.87 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.989 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -64.96 -28.88 69.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.611 0.243 . . . . 0.0 111.185 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -68.41 -48.6 64.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 110.354 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' OE1' HD21 ' A' ' 15' ' ' LEU . 29.0 tt0 -61.33 -36.17 79.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.603 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 5.7 mp -58.81 -43.74 90.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.048 0.451 . . . . 0.0 110.454 172.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.622 ' OD2' ' HE2' ' A' ' 59' ' ' LYS . 32.2 t70 -72.28 -38.23 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.433 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.11 -40.56 77.29 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.316 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' O ' HG22 ' A' ' 61' ' ' THR . 92.3 t80 -61.28 -44.0 97.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.112 175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.794 HH21 HG21 ' A' ' 61' ' ' THR . 0.5 OUTLIER -60.48 -44.1 96.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.313 179.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.622 ' HE2' ' OD2' ' A' ' 55' ' ' ASP . 67.9 mmtt -57.6 -46.65 83.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.383 0.611 . . . . 0.0 109.797 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -65.59 -54.75 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.686 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.794 HG21 HH21 ' A' ' 58' ' ' ARG . 7.5 t -62.14 -39.92 94.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.77 -174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.35 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.966 0.412 . . . . 0.0 111.046 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -70.35 -29.85 66.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.02 -35.64 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.635 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.92 -10.51 59.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.233 0.539 . . . . 0.0 110.113 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 76.0 t60 69.81 30.51 3.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.515 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -107.94 101.61 10.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.865 174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -77.64 86.86 3.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.233 0.539 . . . . 0.0 109.95 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -131.68 120.77 23.24 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.371 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -74.79 153.67 38.67 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.416 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 117.863 -1.065 . . . . 0.0 108.542 172.831 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -121.31 128.88 52.76 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -130.45 118.56 21.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.292 0.568 . . . . 0.0 110.77 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.2 149.71 20.85 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -17.62 63.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.581 0.229 . . . . 0.0 110.994 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -60.66 -53.57 55.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.68 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -33.77 74.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.748 178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.46 -45.17 84.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.347 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.23 -52.53 58.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.419 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.56 78.02 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.435 0.459 . . . . 0.0 111.111 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -67.17 -52.56 39.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.487 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.98 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.85 -47.49 84.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.48 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -61.81 -44.45 96.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.33 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.585 ' HB3' ' CD1' ' B' ' 54' ' ' LEU . 82.1 mt -68.05 -42.76 80.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.492 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.85 -51.52 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.278 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.42 92.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.39 -50.79 71.43 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.46 -31.38 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 111.584 -177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -68.89 -44.95 72.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.52 83.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.223 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -35.14 77.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.317 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -53.74 -53.33 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.932 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt -71.27 -39.64 71.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.819 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.75 -35.64 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.68 -41.49 83.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.282 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 36.5 t-80 -62.27 -39.2 92.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 176.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.35 -42.4 98.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.639 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.26 -41.58 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.051 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.71 -26.13 66.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 111.114 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 27' ' ' HIS . 40.5 mt-10 -78.5 -22.3 47.62 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.309 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -98.6 24.28 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.337 0.589 . . . . 0.0 111.14 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.878 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 15.6 mt -47.71 169.48 0.12 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.329 173.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.878 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 1.2 Cg_exo 5.8 127.25 0.0 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.824 1 C-N-CA 125.39 4.06 . . . . 0.0 115.915 -136.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.675 ' H ' ' HD1' ' B' ' 37' ' ' TRP . 30.3 m 96.4 -14.44 0.08 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 111.88 -2.418 . . . . 0.0 109.51 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.72 47.14 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 170.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.675 ' HD1' ' H ' ' B' ' 35' ' ' THR . 37.3 p-90 -108.27 -27.06 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -172.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.69 -22.22 60.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.263 0.554 . . . . 0.0 110.553 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' B' ' 43' ' ' VAL . 23.9 tpp180 -82.07 -11.79 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.47 -52.53 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.171 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 53.5 ttm -65.36 -33.03 74.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.222 0.534 . . . . 0.0 110.894 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.05 -57.81 6.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.002 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' B' ' 39' ' ' ARG . 58.6 t -63.28 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.931 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.84 94.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.226 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.48 -50.35 74.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.287 0.565 . . . . 0.0 110.639 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 46' ' ' LYS . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.901 -176.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 63.4 m -67.37 -43.33 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.514 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -63.88 -46.16 86.14 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.256 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -53.8 -47.58 70.67 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.813 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.38 46.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -37.26 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -67.66 -46.82 71.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.99 -33.79 74.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.928 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.585 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.8 mp -60.54 -50.92 71.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.395 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.94 -43.7 98.3 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.94 -47.93 81.44 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.685 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.423 ' O ' HG22 ' B' ' 61' ' ' THR . 81.9 t80 -60.29 -42.09 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.601 ' HE ' ' HA ' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -59.89 -42.46 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.436 -179.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.92 -36.84 48.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 38.9 m -64.63 -43.48 93.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.738 0.304 . . . . 0.0 110.808 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.423 HG22 ' O ' ' B' ' 57' ' ' PHE . 13.7 t -73.55 -23.25 59.96 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.36 73.41 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.309 0.576 . . . . 0.0 109.894 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 33.2 t -63.83 -35.78 81.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.367 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 64' ' ' LEU . 3.9 mm? -76.81 -36.63 56.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.13 -15.1 62.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.105 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -71.19 -21.41 62.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.772 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.29 157.5 37.99 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -68.41 93.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.835 0.826 . . . . 0.0 108.986 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -54.21 118.6 4.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.703 -1.135 . . . . 0.0 112.446 -171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 71.25 -69.51 0.18 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.593 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.057 -177.097 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -87.22 130.45 34.56 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 60.71 108.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.052 0.929 . . . . 0.0 110.064 -169.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -119.16 145.97 18.21 Favored Glycine 0 C--N 1.313 -0.733 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.927 -172.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -61.28 -24.37 66.35 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.699 0.4 . . . . 0.0 112.037 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.76 -50.38 43.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 0.0 110.415 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 19.0 tt0 -63.09 -39.5 94.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.2 mp -58.16 -35.25 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.602 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.13 -47.76 70.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.303 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.99 85.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.163 0.506 . . . . 0.0 110.623 177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 4.7 tmtp? -65.26 -46.78 79.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.06 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.69 -39.89 94.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.126 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 1.7 tpmt? -54.06 -44.48 71.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.094 0.473 . . . . 0.0 110.83 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -62.6 -54.16 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.961 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HD3' ' A' ' 11' ' ' LYS . 4.6 mm? -67.85 -32.0 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.802 -176.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.12 -46.97 86.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.217 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.72 89.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.327 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.96 -48.99 79.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.166 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.006 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.8 m -65.24 -34.28 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.023 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -53.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.701 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.07 -33.13 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.8 -43.1 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.649 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 10.2 mmt -75.65 -46.42 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.659 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -58.21 -47.46 83.4 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.883 -176.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 47' ' ' THR . 56.1 tp -66.73 -49.21 66.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.913 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.9 -37.69 87.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.949 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.06 -32.52 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.081 0.467 . . . . 0.0 110.872 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 40' ' ' ILE . 54.0 tp -74.48 -37.75 63.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.227 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.76 61.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.294 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.65 -45.69 71.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.622 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -112.36 83.8 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.552 0.692 . . . . 0.0 110.099 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.86 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.9 mt -85.05 173.01 7.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.232 -178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.86 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 9.0 Cg_exo 0.46 121.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 125.188 3.926 . . . . 0.0 115.737 -135.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.432 ' H ' ' HD1' ' A' ' 37' ' ' TRP . 5.5 m 170.39 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 111.322 -2.672 . . . . 0.0 106.303 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.48 32.81 2.76 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.659 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' HD1' ' H ' ' A' ' 35' ' ' THR . 45.3 p-90 -62.09 -24.73 67.3 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 12.1 t30 -67.39 -21.47 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.264 0.554 . . . . 0.0 110.511 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 39' ' ' ARG . 49.2 ttt-85 -96.94 2.77 52.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.694 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' B' ' 26' ' ' LEU . 11.6 tt -61.68 -39.95 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -172.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.1 mtp -71.63 -38.97 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.99 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -58.15 -52.95 63.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.973 0.416 . . . . 0.0 110.4 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -58.78 -45.31 91.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.696 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' B' ' 41' ' ' MET . . . -61.0 -46.71 89.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.5 -50.99 71.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.49 -44.83 93.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.334 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.534 HG21 HD22 ' A' ' 26' ' ' LEU . 62.9 m -61.44 -45.45 94.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.239 . . . . 0.0 110.752 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HA ' ' B' ' 38' ' ' ASN . 28.1 t80 -60.84 -51.97 67.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.323 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.782 ' HA ' ' HG2' ' A' ' 52' ' ' ARG . 26.6 mm-40 -64.45 -33.2 75.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.082 -178.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.66 48.14 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.537 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-30 -64.77 -37.55 87.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.005 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.782 ' HG2' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -67.05 -38.78 86.44 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.558 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 53.2 tt0 -71.27 -34.37 70.64 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.565 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.1 -49.88 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.874 0.368 . . . . 0.0 110.376 173.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.75 -42.17 95.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 20.1 mm-40 -55.15 -53.66 53.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 175.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.68 -43.34 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.462 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.2 mmp_? -67.34 -43.23 82.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.518 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -74.4 -41.82 60.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.816 -174.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.1 m -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.436 ' OG1' HD21 ' A' ' 8' ' ' LEU . 1.3 t -85.98 -19.08 30.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -176.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.99 96.44 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 110.628 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.1 m -66.76 -27.65 67.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.205 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.34 -43.55 50.08 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.836 ' HB3' ' HD2' ' A' ' 67' ' ' HIS . 41.0 mt-10 -69.39 -15.33 63.28 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.894 176.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 t60 62.19 33.74 16.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.451 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.836 ' HD2' ' HB3' ' A' ' 65' ' ' GLU . 13.8 m-70 -97.85 151.51 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.483 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -98.62 156.5 16.78 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 173.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -99.03 114.45 27.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.324 0.583 . . . . 0.0 110.168 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -124.19 108.64 12.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.871 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.77 -178.441 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.731 0.3 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -110.12 157.67 19.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -154.5 112.35 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.394 0.616 . . . . 0.0 110.879 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.05 169.58 40.35 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.272 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.28 -27.2 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.2 -53.78 13.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.577 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.99 -39.55 78.53 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.675 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.14 -48.54 81.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.818 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.75 -42.32 86.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.0 87.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.919 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.695 ' HA ' ' HE3' ' B' ' 11' ' ' LYS . 0.4 OUTLIER -66.05 -48.61 70.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.356 177.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.58 -43.05 84.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.827 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.89 -49.0 76.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.314 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.31 -45.52 87.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.855 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.22 -37.76 69.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.844 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -59.17 -52.07 67.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.103 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.73 83.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.174 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -68.9 -49.78 55.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.21 87.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.826 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -67.14 -35.78 80.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.291 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.45 78.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.465 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.411 HD12 HG13 ' B' ' 43' ' ' VAL . 3.7 mm? -73.47 -27.8 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -49.78 76.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.801 177.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 13.6 tpt -75.79 -27.65 58.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.036 0.446 . . . . 0.0 110.589 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.09 -47.69 83.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.556 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 40' ' ' ILE . 50.7 tp -62.82 -40.43 97.39 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.568 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.19 -40.38 85.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.34 -43.08 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.77 -35.12 76.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.61 62.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.772 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.55 -29.79 63.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.479 0.656 . . . . 0.0 109.914 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.99 27.28 6.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.444 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.808 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 8.9 mt -41.47 167.98 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 14.7 Cg_exo -1.17 122.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.441 -1.576 0 C-N-CA 124.876 3.717 . . . . 0.0 115.255 -132.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 34' ' ' PRO . 3.1 p -179.78 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 111.756 -2.475 . . . . 0.0 106.825 178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.85 39.08 2.42 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.634 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.737 ' HA ' HG13 ' B' ' 40' ' ' ILE . 31.8 p90 -54.93 -22.71 15.88 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.092 0.557 . . . . 0.0 111.963 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.659 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 8.6 t30 -58.27 -30.5 66.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 0.0 110.636 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.441 ' O ' HG23 ' B' ' 43' ' ' VAL . 74.2 mtp180 -97.96 4.43 49.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.661 -175.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.737 HG13 ' HA ' ' B' ' 37' ' ' TRP . 27.7 mt -56.23 -50.2 72.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.213 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.552 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . 20.2 ptm -69.27 -25.49 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.826 -177.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.486 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 31.6 tt0 -63.55 -54.11 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.194 0.521 . . . . 0.0 109.749 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 39' ' ' ARG . 15.2 t -60.63 -44.72 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.843 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.62 93.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.43 -54.15 50.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.345 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.486 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 57.6 mtmt -57.99 -42.05 84.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.3 m -65.05 -53.45 45.61 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.469 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 75.4 t80 -59.49 -44.45 93.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.652 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.692 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 6.9 tm-20 -67.18 -41.3 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.71 98.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -74.68 -29.85 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.614 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -72.48 -39.71 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.005 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -70.81 -31.02 67.63 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.041 0.448 . . . . 0.0 109.868 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' B' ' 58' ' ' ARG . 31.2 tp -57.94 -42.61 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.083 175.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.85 -39.55 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' B' ' 52' ' ' ARG . 27.4 mm-40 -54.91 -47.75 73.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 176.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' B' ' 54' ' ' LEU . 70.4 mtp180 -65.56 -41.69 92.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.178 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -70.68 -41.24 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.108 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -60.73 -50.64 72.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.289 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.1 t -65.22 -35.5 81.25 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.394 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.12 90.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.647 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -63.8 -30.21 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.115 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.83 -49.52 9.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.685 0.278 . . . . 0.0 111.454 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.5 -15.56 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -173.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -93.55 8.78 39.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.397 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -135.43 140.67 45.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.891 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 66.42 -177.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.674 0.75 . . . . 0.0 111.979 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -154.26 116.04 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.451 170.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -70.35 142.19 52.18 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.111 0.481 . . . . 0.0 110.925 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -150.06 -168.01 2.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -135.04 144.98 47.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' HA3' ' OE2' ' A' ' 7' ' ' GLU . . . -57.13 133.71 52.58 Favored Glycine 0 C--O 1.225 -0.425 0 C-N-CA 121.492 -0.385 . . . . 0.0 113.277 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.89 0.376 . . . . 0.0 111.462 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.9 -42.9 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' OE2' ' HA3' ' A' ' 4' ' ' GLY . 1.4 mp0 -61.29 -37.5 83.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.425 174.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.13 -39.21 91.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.426 0.29 . . . . 0.0 110.959 173.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -62.18 -50.29 72.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.834 0.35 . . . . 0.0 110.427 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.03 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' HE1' ' A' ' 57' ' ' PHE . 72.0 tttt -70.99 -48.33 53.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.32 -39.59 94.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.263 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.73 -46.19 91.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.274 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 1.2 tpmt? -57.88 -49.03 78.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.699 178.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.0 -43.77 91.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.031 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.57 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.78 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -64.41 -44.76 90.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.83 99.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.96 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.5 m -66.56 -42.91 86.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.86 91.61 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.75 -39.39 84.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.827 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -56.74 -50.09 73.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.65 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.1 mtp -66.92 -39.14 87.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.74 -45.69 88.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 tp -67.62 -43.32 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' HA ' ' HB1' ' B' ' 30' ' ' ALA . 19.3 t-160 -60.78 -37.83 83.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.33 -36.5 61.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.594 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 43' ' ' VAL . 41.5 tp -64.18 -29.8 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.88 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.229 0.537 . . . . 0.0 110.83 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -84.55 -21.95 30.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.31 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.98 32.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.891 0.853 . . . . 0.0 110.102 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.979 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 10.8 mt -57.44 169.0 0.84 Allowed Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.215 176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.979 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 11.55 20.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.301 1 C-N-CA 127.287 5.325 . . . . 0.0 119.115 -151.083 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 33' ' ' LEU . 21.5 m -107.36 -59.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.055 0.455 . . . . 0.0 109.954 172.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.42 28.7 11.15 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.41 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.656 ' HA ' HG13 ' A' ' 40' ' ' ILE . 65.0 p-90 -63.51 -22.45 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 111.422 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -67.44 -20.95 65.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.402 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -104.34 5.27 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.99 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.656 HG13 ' HA ' ' A' ' 37' ' ' TRP . 23.5 mt -56.79 -46.04 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 tpp -57.28 -46.01 83.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.257 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.1 tt0 -62.15 -55.94 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG21 HD22 ' A' ' 29' ' ' LEU . 44.7 t -58.74 -45.17 91.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.916 -177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.438 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 33.4 tt0 -58.59 -51.26 70.66 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.272 0.358 . . . . 0.0 110.491 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 53.2 mtmt -59.61 -47.05 87.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.431 -178.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' CE2' ' A' ' 51' ' ' TYR . 27.1 m -61.87 -43.32 99.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -65.2 -44.56 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.636 0.255 . . . . 0.0 110.539 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.99 -36.09 78.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -45.07 87.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.993 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CE2' HG22 ' A' ' 47' ' ' THR . 21.3 m-85 -61.94 -42.24 98.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.874 0.369 . . . . 0.0 110.033 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -56.78 -55.46 33.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.643 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -62.78 -30.63 71.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.567 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.91 -44.2 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.057 0.456 . . . . 0.0 109.957 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 25.4 t70 -69.41 -35.03 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.692 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 59' ' ' LYS . 31.0 mt-10 -72.92 -22.75 60.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.867 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HE1' ' HD3' ' A' ' 11' ' ' LYS . 70.3 t80 -71.12 -40.48 71.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 170.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 55' ' ' ASP . 3.9 mmp_? -56.09 -46.65 78.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.394 171.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' GLU . 12.1 tmtt? -61.48 -38.08 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.32 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -66.63 -41.96 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -87.16 -35.81 18.4 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 66' ' ' HIS . . . -67.33 -24.78 65.77 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 122.164 -0.335 . . . . 0.0 111.704 -175.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -77.75 -21.58 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.033 0.444 . . . . 0.0 110.436 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.29 -39.79 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.104 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -77.51 -16.69 58.56 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.027 0.441 . . . . 0.0 111.649 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 44.2 m-70 -132.26 -88.46 0.44 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.3 t60 177.23 -64.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.65 146.51 25.22 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -98.59 142.69 29.86 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.987 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -99.38 -69.64 0.76 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 m80 . . . . . 0 C--O 1.246 0.911 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.544 173.547 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.018 0.437 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -134.76 131.96 38.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -154.31 133.52 12.55 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.47 144.45 40.66 Favored Glycine 0 N--CA 1.44 -1.094 0 C-N-CA 121.012 -0.614 . . . . 0.0 112.545 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.89 -18.69 65.4 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.768 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.52 -50.55 30.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.314 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -62.2 -39.03 91.36 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.434 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.53 -48.44 74.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.76 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.79 -51.64 67.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.217 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.68 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 36.5 ttmt -72.99 -45.52 57.46 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.706 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -54.49 -45.2 73.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 110.119 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.7 -48.55 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.528 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.65 -47.4 84.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.153 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 11' ' ' LYS . 82.8 mt -64.57 -43.17 94.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -60.49 -44.86 95.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.005 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.82 98.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.757 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.5 -46.99 85.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.78 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 56.0 m -74.56 -36.59 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.6 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.88 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.944 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.415 HD12 HG13 ' B' ' 43' ' ' VAL . 4.1 mm? -63.92 -39.49 94.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 33' ' ' LEU . 85.1 tttt -57.64 -42.05 82.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.738 178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 90.1 mtp -69.8 -52.95 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.058 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.6 -33.45 75.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.472 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.61 -36.55 78.86 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.79 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -65.82 -45.38 82.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -61.13 -43.56 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.0 110.202 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' B' ' 40' ' ' ILE . 52.5 tp -63.42 -44.18 95.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.453 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 27' ' ' HIS . . . -68.72 -30.75 69.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.88 -176.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.81 -34.23 21.15 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.374 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.77 26.39 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.143 0.497 . . . . 0.0 110.602 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.999 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 11.9 mt -42.05 174.45 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.675 1.19 . . . . 0.0 113.941 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.999 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.1 OUTLIER 21.62 20.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.299 1 C-N-CA 126.302 4.668 . . . . 0.0 118.445 -145.595 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -125.33 134.69 52.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 159.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 15.07 66.35 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.594 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.419 ' HA ' HG13 ' B' ' 40' ' ' ILE . 29.2 p90 -57.0 -21.12 28.17 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -63.48 -22.11 66.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.01 0.433 . . . . 0.0 110.961 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -92.86 -2.62 55.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.005 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.542 ' HA ' HD21 ' B' ' 29' ' ' LEU . 66.3 mt -57.05 -48.53 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.452 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 93.1 mmm -68.38 -37.47 80.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.079 -178.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.559 ' HG2' ' HE2' ' B' ' 46' ' ' LYS . 13.0 tt0 -65.31 -54.34 30.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.415 HG13 HD12 ' B' ' 22' ' ' LEU . 87.9 t -59.88 -48.21 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.602 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.25 -45.14 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.839 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 49' ' ' GLU . 16.3 tm-20 -59.23 -54.82 42.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.559 ' HE2' ' HG2' ' B' ' 42' ' ' GLU . 54.1 mtmt -65.5 -37.1 85.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -64.35 -46.07 85.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.327 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.617 ' O ' ' HG3' ' B' ' 52' ' ' ARG . 84.4 t80 -61.15 -48.8 79.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.316 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 45' ' ' GLU . 15.3 mm-40 -62.16 -42.59 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.955 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.13 65.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.465 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.65 -28.68 67.92 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.541 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' B' ' 48' ' ' TYR . 32.9 mtm105 -61.49 -58.15 9.31 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.951 0.881 . . . . 0.0 109.737 174.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.71 -37.17 83.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.211 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.03 -45.75 91.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.671 0.272 . . . . 0.0 110.843 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 24.3 t70 -66.38 -42.96 87.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.67 -34.69 78.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.3 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.88 -34.76 73.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -65.95 -37.06 85.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 74.7 mmtt -59.41 -46.53 88.46 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.36 0.6 . . . . 0.0 109.869 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -61.86 -45.2 94.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.241 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 48.0 m -59.4 -42.29 91.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.1 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.62 -32.63 73.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 25.5 m -72.22 -41.21 67.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 64' ' ' LEU . 4.1 mm? -64.53 -40.73 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.658 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.02 -7.13 47.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.303 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -96.84 -15.01 21.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.61 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 141.27 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -78.55 141.22 38.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -83.34 84.63 7.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.14 -171.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -82.89 -46.19 13.3 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.172 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -129.87 158.28 39.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.832 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -106.6 132.07 53.02 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.282 0.563 . . . . 0.0 110.54 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.08 137.35 15.41 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.037 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.88 68.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.393 0.616 . . . . 0.0 110.957 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.02 -48.12 54.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.309 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.45 -39.88 92.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.861 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 57' ' ' PHE . 3.0 tt -57.26 -51.74 68.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.42 175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -58.57 -51.48 69.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.965 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.32 88.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.276 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 ttmt -74.33 -49.34 23.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.736 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.44 -39.07 89.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.463 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -60.26 -42.76 96.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.092 0.472 . . . . 0.0 110.078 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.4 -44.73 70.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.764 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 74.9 mt -66.31 -41.92 88.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.93 -43.12 99.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.48 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.33 97.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.29 -47.72 83.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.32 90.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -62.63 -39.32 93.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.64 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.64 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.09 -33.84 74.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.434 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -57.77 -47.01 83.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.624 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtt -75.18 -35.34 61.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.836 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.61 -51.45 69.77 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.175 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HA ' HG11 ' A' ' 43' ' ' VAL . 61.4 tp -65.68 -44.54 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -61.74 -34.09 75.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.7 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.5 -49.42 75.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.097 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.21 -36.7 58.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.081 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.97 62.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.314 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.34 -37.81 74.74 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.74 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.0 90.36 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.462 0.649 . . . . 0.0 109.891 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.719 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 4.9 mt -67.28 -179.83 0.48 Allowed Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HA ' ' HB3' ' A' ' 37' ' ' TRP . 0.2 OUTLIER 17.33 -86.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.422 -2.699 0 C-N-CA 124.296 3.331 . . . . 0.0 114.281 -130.213 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.9 m 35.88 -87.69 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -166.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.85 42.66 1.91 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.752 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 50.1 p-90 -51.17 -27.5 8.84 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.002 0.921 . . . . 0.0 112.544 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HA ' ' CE1' ' B' ' 48' ' ' TYR . 11.9 t30 -64.82 -20.94 66.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.862 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 ttt180 -101.11 -0.41 36.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.438 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.71 HG13 ' HA ' ' A' ' 37' ' ' TRP . 46.4 mt -53.75 -44.04 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 120.694 0.283 . . . . 0.0 111.405 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.4 tpp -56.79 -47.38 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.426 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 32.2 tt0 -62.51 -54.31 41.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.189 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.484 HG11 ' HA ' ' A' ' 26' ' ' LEU . 25.5 t -55.42 -49.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.441 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.33 92.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.453 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -48.33 82.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 52.9 mtmt -60.08 -43.38 95.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -62.16 -47.88 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.9 -48.79 80.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.5 -53.02 62.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.676 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.66 96.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -70.49 -39.18 74.34 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.524 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 45.1 ttt180 -66.62 -49.47 66.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.926 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -55.35 -38.87 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.228 0.33 . . . . 0.0 111.218 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -47.55 84.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.74 -42.31 97.9 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.755 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 12.1 mm-40 -57.98 -48.33 80.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.598 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 8' ' ' LEU . 67.7 t80 -62.49 -40.31 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.223 178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.4 mmp_? -61.21 -46.88 88.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.27 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.244 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -64.24 -52.61 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.977 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 t -65.69 -29.19 69.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.312 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.87 93.03 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.339 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 t -68.49 -36.58 79.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.56 -31.08 67.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.211 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -77.55 -1.42 30.53 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.846 0.831 . . . . 0.0 109.298 173.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 67.3 34.4 4.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.983 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.503 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 78.4 m-70 -86.82 59.86 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.548 0.689 . . . . 0.0 110.775 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -81.47 76.12 8.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.827 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -153.69 136.83 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.21 -173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -134.88 158.45 44.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.549 -0.738 . . . . 0.0 110.118 179.326 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m 64.08 146.78 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.458 0.647 . . . . 0.0 111.389 -174.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -111.91 116.0 29.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.447 ' O ' HD13 ' B' ' 8' ' ' LEU . . . -119.47 132.56 9.59 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.729 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.79 -18.84 63.35 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.52 -55.55 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.072 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.93 -33.41 74.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.544 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.673 ' HG ' ' HZ ' ' B' ' 57' ' ' PHE . 6.6 mp -62.15 -37.93 87.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.494 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.4 -49.75 74.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.202 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -67.67 -51.26 51.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.96 -38.01 89.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.604 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.24 -42.83 99.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.92 0.391 . . . . 0.0 110.35 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -65.39 -42.16 92.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.362 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.0 -40.83 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 110.483 177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.9 -48.54 81.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.671 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.91 98.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.54 -51.84 68.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.349 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' B' ' 51' ' ' TYR . . . -60.5 -31.08 70.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.465 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.0 m -74.97 -41.24 59.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.757 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.42 93.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.436 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.78 -34.13 77.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.928 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 19.7 ttpp -60.86 -42.12 97.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.097 0.475 . . . . 0.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -71.56 -41.52 68.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.42 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.49 -46.72 72.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.333 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -70.77 -34.24 71.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.863 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.35 -37.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.94 -28.44 65.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.511 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' B' ' 33' ' ' LEU . . . -63.69 -31.25 72.36 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -81.9 -33.11 30.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.642 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -89.16 20.88 3.45 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.888 0.851 . . . . 0.0 110.241 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.97 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 9.7 mt -57.06 169.05 0.73 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.036 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.97 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 0.2 OUTLIER 13.17 20.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.33 1 C-N-CA 127.339 5.359 . . . . 0.0 118.881 -152.282 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 33' ' ' LEU . 11.8 m -103.16 -54.75 2.55 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 166.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.18 35.39 5.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.776 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.604 ' HA ' HG13 ' B' ' 40' ' ' ILE . 6.9 p-90 -60.76 -18.87 57.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -66.9 -17.56 64.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.379 0.609 . . . . 0.0 110.792 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.604 ' HG3' HG23 ' B' ' 43' ' ' VAL . 0.8 OUTLIER -97.7 -12.74 22.01 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.493 -174.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' B' ' 37' ' ' TRP . 83.0 mt -52.96 -53.92 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 86.3 mtp -68.65 -39.37 80.72 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.77 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -66.94 -44.79 79.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.894 0.378 . . . . 0.0 110.598 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' B' ' 39' ' ' ARG . 85.9 t -61.89 -52.07 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.01 78.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.379 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 38.6 tt0 -60.79 -57.04 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' B' ' 46' ' ' LYS . 0.1 OUTLIER -60.2 -35.75 76.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 111.102 -178.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 61.7 m -61.77 -47.17 86.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 38' ' ' ASN . 28.4 t80 -65.38 -44.67 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 55.2 mt-10 -57.75 -47.74 81.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -48.21 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.562 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . 0.457 ' CE1' ' HB1' ' B' ' 19' ' ' ALA . 14.3 m-85 -65.51 -38.59 90.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -61.72 -55.45 30.22 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.586 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.32 -36.51 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.085 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.65 -44.85 95.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.697 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' B' ' 58' ' ' ARG . 33.6 t70 -74.25 -30.85 62.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.51 -51.53 68.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.801 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.673 ' HZ ' ' HG ' ' B' ' 8' ' ' LEU . 71.0 t80 -62.39 -38.17 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.283 0.563 . . . . 0.0 109.637 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' B' ' 55' ' ' ASP . 58.2 ttt180 -56.07 -49.89 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.766 176.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -63.32 -42.16 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -61.97 -47.12 86.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t -80.41 -21.99 41.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.0 82.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.986 0.422 . . . . 0.0 110.721 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.09 -31.75 70.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.705 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.86 -39.7 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.997 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.75 ' HG2' ' HB3' ' B' ' 69' ' ' HIS . 4.3 tm-20 -65.74 -17.84 64.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.713 0.768 . . . . 0.0 110.555 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -67.31 -19.9 65.54 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.783 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -81.4 -68.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -151.62 144.14 24.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.089 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . 0.75 ' HB3' ' HG2' ' B' ' 65' ' ' GLU . 1.6 p80 -139.49 124.24 18.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 -177.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -105.7 121.87 44.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.495 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.646 176.09 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -124.28 159.71 29.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.199 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' HB3' HD11 ' A' ' 8' ' ' LEU . 49.5 mt-10 -122.79 121.09 35.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.201 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -86.89 122.24 6.07 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . . . -55.6 -29.01 58.37 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.905 0.482 . . . . 0.0 111.973 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -50.96 68.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.19 -42.76 96.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.633 0.73 . . . . 0.0 109.48 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 6.8 mp -60.03 -47.85 84.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.802 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -66.83 -43.31 84.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.033 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.682 ' O ' ' HG2' ' A' ' 14' ' ' LYS . . . -67.44 -44.78 77.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.358 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' HG2' HD23 ' A' ' 15' ' ' LEU . 48.5 tttp -70.87 -38.45 73.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.802 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.71 -45.59 89.22 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.14 -44.98 92.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.996 0.427 . . . . 0.0 110.488 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 12.2 mmmm -57.69 -51.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.549 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 3.9 mm? -63.37 -39.59 94.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.554 177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.5 -46.39 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.463 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.29 96.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.974 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.85 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.378 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.02 91.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.079 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -64.88 -38.89 92.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.789 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.69 -37.24 70.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' B' ' 33' ' ' LEU . 60.1 tttm -55.38 -48.65 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.3 ptm -75.2 -30.23 60.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -70.12 -44.82 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.938 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 47' ' ' THR . 54.2 tp -57.67 -43.09 84.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.272 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 21.8 t-80 -63.9 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.324 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.14 -35.15 66.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.944 0.402 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.73 -38.75 87.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.311 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -67.26 -28.53 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.811 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 44.5 mt-10 -79.19 -42.04 26.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -89.02 29.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.372 0.606 . . . . 0.0 110.594 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.991 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 9.9 mt -53.44 177.13 0.09 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.705 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 22.79 20.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.412 1 C-N-CA 126.456 4.771 . . . . 0.0 118.475 -146.249 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.498 ' H ' ' C ' ' A' ' 33' ' ' LEU . 2.2 m -132.52 147.77 52.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.98 14.81 64.0 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.899 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -54.34 -29.2 47.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 117.061 0.431 . . . . 0.0 112.03 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.27 -28.18 67.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.055 0.455 . . . . 0.0 110.749 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 43' ' ' VAL . 29.9 ttt180 -85.6 -10.18 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.17 -41.22 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.662 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.562 ' HE1' ' HA ' ' B' ' 45' ' ' GLU . 2.2 mmt -64.13 -50.99 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.379 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.547 ' HG2' ' HE2' ' A' ' 46' ' ' LYS . 26.4 tt0 -60.3 -47.24 86.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.193 0.52 . . . . 0.0 110.69 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 HG23 ' HG2' ' A' ' 39' ' ' ARG . 87.7 t -60.51 -53.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.481 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.77 -45.79 78.07 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.6 -56.68 17.28 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.578 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 50.3 mtmt -62.38 -37.22 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.541 HG21 HD22 ' A' ' 26' ' ' LEU . 85.4 m -59.55 -47.55 85.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.592 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' HA ' ' HE1' ' B' ' 37' ' ' TRP . 78.8 t80 -72.94 -48.56 35.82 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.017 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -62.73 -39.15 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -174.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.6 68.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.711 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.11 -30.35 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.24 0.543 . . . . 0.0 110.033 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.07 -46.4 61.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.61 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.39 -30.67 71.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 4.9 mp -53.5 -46.4 70.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.55 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.4 -34.14 63.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.925 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.63 -41.05 98.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.874 0.369 . . . . 0.0 110.193 174.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 8' ' ' LEU . 87.7 t80 -59.24 -45.98 89.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.76 174.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 60.7 mtp85 -63.31 -35.07 79.14 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.683 178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -58.7 -46.42 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -67.43 -59.95 2.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.856 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.9 m -59.44 -45.02 92.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.898 -173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.56 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.808 0.337 . . . . 0.0 111.276 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -77.11 -29.33 54.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.989 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 64' ' ' LEU . 2.0 tm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.73 -9.27 58.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.964 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 71.51 31.54 2.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.468 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 71.58 119.76 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.351 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -56.2 -64.29 0.91 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.374 -169.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -160.96 142.24 11.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.643 0.259 . . . . 0.0 110.432 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -133.56 -41.75 0.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.0 t60 . . . . . 0 C--O 1.249 1.071 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.16 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.195 0.521 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.2 157.07 12.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.617 -176.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.64 130.23 24.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.924 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' B' ' 8' ' ' LEU . . . -154.67 158.88 28.58 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.927 -176.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' B' ' 9' ' ' LYS . . . -59.45 -21.04 59.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.8 -55.71 17.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.468 0.652 . . . . 0.0 110.501 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.58 -33.67 74.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.586 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 5' ' ' ALA . 76.1 mt -65.34 -40.4 93.61 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.454 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' B' ' 5' ' ' ALA . 5.7 mmtp -68.74 -35.07 76.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.36 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.511 . . . . 0.0 109.828 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -60.99 -50.01 75.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.94 -42.18 84.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.42 -43.83 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 110.273 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.23 -42.79 91.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.384 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.91 -42.5 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.636 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -60.8 -46.06 91.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.103 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.5 96.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -61.4 -45.48 94.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.126 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.89 98.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.717 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -61.44 -41.33 97.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.489 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.33 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.771 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.53 -29.75 70.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.14 -52.5 64.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.607 0.242 . . . . 0.0 110.528 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.1 ptm -72.95 -29.23 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.68 -52.89 54.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.139 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.39 -39.5 89.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.466 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 32.1 t-80 -53.85 -54.1 43.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' B' ' 31' ' ' GLU . 0.6 OUTLIER -73.97 -26.21 60.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.503 -176.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.498 HD22 HG21 ' B' ' 43' ' ' VAL . 50.1 tp -63.24 -47.44 82.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 110.187 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 33' ' ' LEU . . . -71.09 -25.6 62.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.747 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.405 ' HB3' ' HA ' ' B' ' 28' ' ' ASP . 18.7 tp10 -76.34 -26.42 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.435 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -102.71 28.27 6.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.736 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.814 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 14.7 mt -41.89 168.5 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.599 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 18.9 Cg_exo -2.66 122.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 124.804 3.669 . . . . 0.0 115.02 -132.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m 156.43 -52.67 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 111.926 -2.397 . . . . 0.0 107.7 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.49 28.06 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.13 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.758 ' HE3' ' HD3' ' B' ' 34' ' ' PRO . 4.1 t-105 -59.19 -29.15 67.26 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.267 0.556 . . . . 0.0 109.986 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' TYR . 63.7 t30 -64.28 -27.21 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.466 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' B' ' 43' ' ' VAL . 60.1 ttt180 -94.38 2.35 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -47.66 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.681 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 48.4 ttm -62.59 -44.61 95.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.818 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.686 ' HG2' ' HD3' ' B' ' 46' ' ' LYS . 10.4 tt0 -58.76 -59.2 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.498 HG21 HD22 ' B' ' 29' ' ' LEU . 93.4 t -56.25 -41.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.827 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.35 92.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.165 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.562 ' HA ' ' HE1' ' A' ' 41' ' ' MET . 33.7 mt-10 -60.82 -45.24 95.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.686 ' HD3' ' HG2' ' B' ' 42' ' ' GLU . 39.0 mtpt -62.85 -40.33 97.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.363 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 67.9 m -65.89 -48.82 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.732 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.573 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.25 -44.53 83.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.298 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 54' ' ' LEU . . . -64.8 -41.5 95.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -73.87 -30.89 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.75 -52.11 67.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.959 0.409 . . . . 0.0 109.939 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -65.67 -38.11 88.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 50' ' ' ALA . 0.4 OUTLIER -60.16 -51.25 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 -178.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.477 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 33.3 t70 -72.83 -34.93 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.632 0.254 . . . . 0.0 110.828 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.58 -47.07 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 110.615 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.14 -38.29 87.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.445 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.467 ' HB3' ' HA ' ' B' ' 55' ' ' ASP . 36.3 ttt180 -58.2 -44.56 88.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.067 178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 75.3 mmtt -62.85 -48.4 79.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.169 0.509 . . . . 0.0 110.1 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.2 t -60.87 -56.87 16.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.787 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t -62.75 -36.97 84.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.04 -41.45 74.21 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.016 -176.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -74.66 -38.54 62.42 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.007 0.432 . . . . 0.0 110.215 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.417 ' O ' HD13 ' B' ' 64' ' ' LEU . 1.0 OUTLIER -68.28 -35.87 78.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.799 -176.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -84.45 6.4 23.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 74.58 17.94 2.92 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.636 0.585 . . . . 0.0 110.575 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 60.14 86.49 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.768 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -95.46 177.27 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.555 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -70.49 173.34 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.675 0.75 . . . . 0.0 112.916 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -97.14 154.62 17.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.372 -1.285 . . . . 0.0 109.64 -176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.138 176.563 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -115.13 -6.26 12.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.066 0.936 . . . . 0.0 110.032 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -138.91 139.1 37.93 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.395 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 111.97 0.64 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 170.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.96 76.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.55 -52.55 63.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -62.12 -38.97 90.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.77 -49.95 75.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.881 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.23 -47.89 84.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.72 94.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -65.59 -52.62 50.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.764 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 57' ' ' PHE . 64.2 tp -60.5 -39.38 87.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.481 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -59.58 -47.93 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -61.84 -44.38 96.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.532 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.9 -44.46 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.382 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.81 -47.95 81.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.881 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.0 -44.47 95.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.284 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.995 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 23' ' ' LYS . 28.4 m -64.96 -32.92 74.87 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.647 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.57 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 33' ' ' LEU . 55.3 tttp -55.09 -52.46 63.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -75.21 -30.52 60.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.134 -177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -43.25 76.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.545 0.212 . . . . 0.0 110.938 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.43 -40.15 95.61 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' B' ' 31' ' ' GLU . 30.1 t-80 -57.86 -47.01 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.034 177.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.72 -34.73 76.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 40' ' ' ILE . 50.2 tp -64.48 -49.75 70.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' B' ' 27' ' ' HIS . . . -64.68 -25.25 67.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.953 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.99 -28.14 63.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.337 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.66 25.81 5.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 11.6 mt -46.96 173.95 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.953 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER 20.55 19.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 1 C-N-CA 126.037 4.491 . . . . 0.0 117.878 -141.742 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.555 ' H ' ' C ' ' A' ' 33' ' ' LEU . 1.4 m -137.68 151.44 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 163.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.88 12.78 37.23 Favored Glycine 0 C--N 1.319 -0.4 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.919 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HE1' ' HA ' ' B' ' 48' ' ' TYR . 3.7 t-105 -57.4 -31.9 66.3 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.265 0.555 . . . . 0.0 110.137 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HA ' ' HE1' ' B' ' 48' ' ' TYR . 52.2 t30 -60.23 -31.05 69.81 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.173 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -82.41 -9.0 59.62 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.514 ' HA ' HD21 ' A' ' 29' ' ' LEU . 35.9 mt -53.99 -49.34 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.102 0.251 . . . . 0.0 111.507 -177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.11 -27.87 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.48 -60.43 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.601 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -41.41 84.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.23 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.52 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.212 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.557 ' HA ' ' SD ' ' B' ' 41' ' ' MET . 38.1 tt0 -63.47 -46.94 83.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.197 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.1 m -61.46 -45.12 95.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.52 -51.89 60.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.624 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.42 -41.05 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.895 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 54' ' ' LEU . . . -64.02 -49.75 71.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.241 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -69.21 -34.53 75.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.045 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -60.2 -55.46 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.89 -30.83 71.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.266 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 6.5 tt -62.54 -51.05 68.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 1.017 ' HA ' ' HG2' ' A' ' 58' ' ' ARG . 23.0 t70 -69.8 -33.96 73.07 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.847 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.21 -28.73 67.51 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.927 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.4 ' HD2' HD13 ' A' ' 12' ' ' LEU . 28.3 t80 -77.36 -40.08 45.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 1.017 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 2.1 ptm180 -71.23 -32.12 68.4 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -59.73 -43.77 94.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.024 0.44 . . . . 0.0 110.09 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 t -61.0 -51.97 66.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.089 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 58' ' ' ARG . 7.3 t -68.92 -31.67 70.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.693 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.9 78.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -65.14 -44.43 88.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.697 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.43 -27.17 62.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 110.946 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.23 -11.7 59.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.538 0.685 . . . . 0.0 109.733 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.84 31.41 16.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.107 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -121.45 120.94 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.592 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.9 m80 58.79 36.51 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -61.07 -32.22 71.87 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.212 0.529 . . . . 0.0 109.637 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -124.54 130.67 52.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.143 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.84 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' B' ' 1' ' ' MET . 45.9 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.763 0.316 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -75.52 129.72 37.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -123.47 126.62 47.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.593 -175.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.619 ' O ' ' HG ' ' B' ' 8' ' ' LEU . . . -159.14 114.9 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.495 178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' B' ' 8' ' ' LEU . . . -67.16 -29.14 68.76 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.13 -44.04 85.39 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.23 0.538 . . . . 0.0 110.447 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.07 -37.92 81.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.024 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' B' ' 4' ' ' GLY . 61.0 mt -59.16 -48.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.569 176.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -60.27 -49.83 76.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.05 71.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -66.76 -53.46 32.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' CE2' ' B' ' 57' ' ' PHE . 55.5 tp -61.68 -40.83 96.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 110.148 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -59.69 -48.29 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -65.02 -39.93 94.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.01 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.89 -41.13 91.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -58.72 -48.69 80.3 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.146 0.498 . . . . 0.0 110.038 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.44 90.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.012 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.81 -47.73 83.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.41 81.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 40.7 m -67.38 -39.27 85.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.872 0.367 . . . . 0.0 110.978 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.68 90.03 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.542 ' HB3' ' OG1' ' B' ' 47' ' ' THR . 4.3 mm? -72.62 -34.8 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.617 ' HG3' HD13 ' A' ' 33' ' ' LEU . 78.5 tttt -53.24 -53.59 48.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.426 178.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 26.6 ptm -69.58 -31.86 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.388 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -69.09 -43.96 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.737 0.303 . . . . 0.0 110.406 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.09 -40.17 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.498 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 23.2 t-160 -61.29 -39.69 91.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.181 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.14 -49.33 36.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.191 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.1 -33.77 71.23 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.677 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.9 tt0 -86.03 -35.53 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.116 0.484 . . . . 0.0 110.201 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.73 25.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.934 -175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.862 ' HB3' ' HD2' ' B' ' 34' ' ' PRO . 13.2 mt -49.74 169.38 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.698 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 33' ' ' LEU . 8.9 Cg_exo -1.33 121.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.779 0 C-N-CA 124.785 3.657 . . . . 0.0 115.36 -134.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.3 m 168.38 -51.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 111.227 -2.715 . . . . 0.0 105.435 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.02 36.2 2.25 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.636 171.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . 0.549 ' HA ' HG13 ' B' ' 40' ' ' ILE . 64.9 p-90 -64.84 -20.72 66.55 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -67.03 -17.84 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.702 . . . . 0.0 110.35 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.545 ' HG2' HG23 ' B' ' 43' ' ' VAL . 28.3 ttt180 -97.36 -4.34 38.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.254 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' B' ' 37' ' ' TRP . 73.4 mt -54.99 -51.98 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.557 ' SD ' ' HA ' ' A' ' 45' ' ' GLU . 97.8 mmm -66.96 -42.73 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.346 -173.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.11 -46.43 89.64 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' B' ' 39' ' ' ARG . 72.0 t -57.58 -52.57 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.139 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.05 68.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.092 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.95 -51.88 67.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.904 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.45 -42.89 78.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.641 -176.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.66 HG22 ' CZ2' ' A' ' 37' ' ' TRP . 17.3 m -63.97 -45.85 87.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.791 ' HA ' ' HE1' ' A' ' 37' ' ' TRP . 44.2 t80 -65.02 -44.75 88.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.498 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -65.59 -49.66 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.553 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.82 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -67.8 -34.14 76.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 52' ' ' ARG . 10.0 mmt85 -62.58 -56.6 16.37 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.25 -34.98 74.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.63 -49.99 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.74 -42.52 97.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -60.37 -43.24 96.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' B' ' 12' ' ' LEU . 48.9 t80 -67.36 -36.09 80.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.045 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -65.81 -44.77 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 110.107 172.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 41.7 m -60.67 -54.16 48.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.495 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 15.2 t -66.33 -31.97 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.41 -175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.43 -32.15 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.618 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 42.7 m -69.87 -30.77 68.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.675 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.94 -43.19 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.029 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.93 -17.25 64.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.62 0.724 . . . . 0.0 111.005 -177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -70.07 -14.83 62.85 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.176 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -130.94 85.98 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.5 0.667 . . . . 0.0 111.532 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -78.99 95.0 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 171.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -104.48 122.96 46.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.863 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.69 124.04 37.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.468 -175.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 p80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.959 -0.543 . . . . 0.0 110.246 -178.79 . . . . . . . . 0 0 . 1 stop_ save_